Formula of Polyethylene glycol monostearate (C20H40O3)
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Chemical Formula | C20H40O3 |
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Molecular Weight | 328.5298 g/mol |
IUPAC Name | 2-hydroxyethyl octadecanoate |
SMILES String | CCCCCCCCCCCCCCCCCC(=O)OCCO |
InChI | InChI=1S/C20H40O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(22)23-19-18-21/h21H,2-19H2,1H3 |
InChIKey | RFVNOJDQRGSOEL-UHFFFAOYSA-N |
Citation | CC-DPS (Chemical Compounds Deep Profiling Services; https://www.cc-dps.com) powered by 41 patented QSQN technology based on Quantum Chemistry, Statistical Thermodynamics, Quantitative Structure-Property Relationship (QSPR), and Neural Network. |
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Chemical Formula Description
The Polyethylene glycol monostearate molecule contains a total of 63 atom(s). There are 40 Hydrogen atom(s), 20 Carbon atom(s), and 3 Oxygen atom(s). A chemical formula of Polyethylene glycol monostearate can therefore be written as:
C20H40O3
The chemical formula of Polyethylene glycol monostearate shown above is based on the molecular formula indicating the numbers of each type of atom in a molecule without structural information, which is different from the empirical formula which provides the numerical proportions of atoms of each type.
The above chemical formula is the basis of stoichiometry in chemical equations, i.e., the calculation of relative quantities of reactants and products in chemical reactions. The law of conservation of mass dictates that the quantity of each element given in the chemical formula does not change in a chemical reaction. Thus, each side of the chemical equation must represent the same quantity of any particular element based on the chemical formula.
![3D chemical structure image of Polyethylene glycol monostearate](http://static.molinstincts.com/compound_3d/Polyethylene-glycol-monostearate-3D-structure-CT1001294277.png)
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- Name: ethanol
- CAS #: 64-17-5
- Formula: C2H5OH
- Smiles: CCO
- InChI: InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3
- InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N
Additional Information for Identifying Polyethylene glycol monostearate Molecule
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Structure Data File (SDF/MOL File) of Polyethylene glycol monostearate
The structure data file (SDF/MOL File) of Polyethylene glycol monostearate is available for download in the SDF page of Polyethylene glycol monostearate providing the information about the atoms, bonds, connectivity and coordinates of Polyethylene glycol monostearate, which is not completely available in the chemical formula representation. The Polyethylene glycol monostearate structure data file can be imported to most of the cheminformatics software for further analysis and visualization.
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Chemical structure of Polyethylene glycol monostearate
The chemical structure image of Polyethylene glycol monostearate is available in chemical structure page of Polyethylene glycol monostearate, which specifies the molecular geometry, i.e., the spatial arrangement of atoms in the chemical formula of Polyethylene glycol monostearate and the chemical bonds that hold the atoms together.
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Molecular weight of Polyethylene glycol monostearate
The molecular weight of Polyethylene glycol monostearate is available in molecular weight page of Polyethylene glycol monostearate, which is calculated as the sum of the atomic weights of each constituent element multiplied by the number of atoms of that element specified in the chemical formula of Polyethylene glycol monostearate.
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InChI (IUPAC International Chemical Identifier) information of Polyethylene glycol monostearate
The molecular chemical formulas lack structural information. An alternative textual expression including the structural information is InChI. The full standard InChI of Polyethylene glycol monostearate is:
InChI=1S/C20H40O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(22)23-19-18-21/h21H,2-19H2,1H3
It can provide a standard way to encode the molecular information of Polyethylene glycol monostearate to facilitate the search for the compound information in databases and on the web.
The condensed, 27 character standard InChIKey (hashed version of the full standard InChI) of Polyethylene glycol monostearate is:
InChIKey=RFVNOJDQRGSOEL-UHFFFAOYSA-N
The InChIKey may allow easier web searches for Polyethylene glycol monostearate, but it needs to be linked to the full InChI to get back to the original structure of the Polyethylene glycol monostearate since the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of Polyethylene glycol monostearate
The Polyethylene glycol monostearate compound may have different names depending on the various different situations of industrial applications. The list of the other names (synonyms) of Polyethylene glycol monostearate including the registry numbers is given below, if available:
- 939018-14-1
- 9009-90-9
- 86473-52-1
- 8050-55-3
- 8035-96-9
- 74870-86-3
- 72993-78-3
- 63654-37-5
- 58375-39-6
- 55247-85-3
- 53335-42-5
- 53228-13-0
- 52504-23-1
- 52504-22-0
- 52504-21-9
- 42610-76-4
- 39404-30-3
- 35885-17-7
- 123543-87-3
- 121340-91-8
- 11108-48-8
- 11107-94-1
- Poly(oxy-1, 2-ethanediyl), .alpha.-hydro-.omega.-hydroxy-, octadecanoate
- Poly(oxy-1,2-ethanediyl), alpha-hydro-omega-hydroxy-, octadecanoate
- Poly(oxy-1, .alpha.-hydro-.omega.-hydroxy-, octadecanoate
- Polyoxyethylene Monostearate ester, POE(90) Monostearate
- Polyoxyethylene Monostearate ester, POE(9) Monostearate
- Polyoxyethylene Monostearate ester, POE(7) Monostearate
- Polyoxyethylene Monostearate ester, POE(46) Monostearate
- Polyoxyethylene Monostearate ester, POE(23) Monostearate
- Polyoxyethylene Monostearate ester, POE(14) Monostearate
- Poly(oxy-1, .alpha.-(1-oxooctadecyl)-.omega.-hydroxy-
- L001305
- D01542
- S-151
- CAS-111-60-4
- 86418-55-5
- Polyoxyl 40 stearate [USAN:BAN:JAN]
- 0324G66D0E
- Crill 20,21,22, 23
- Polyoxyl 40 stearate (JP17/NF)
- Poly(oxy-1,2-ethanediyl), ?-(1-oxooctadecyl)-?-hydroxy-
- Polyethylene glycol monosterate
- Crill 20,22,23
- Polyoxyl 8 stearate (USAN)
- Stabilisant .delta.-118
- Myrj 52 (TN)
- PEG-4000 Monostearate
- PEG-2000 Monostearate
- PEG-1000 Monostearate
- Cerasynt MN (Salt/Mix)
- Cerasynt M (Salt/Mix)
- PEG-600 Monostearate
- PEG-400 Monostearate
- PEG-300 Monostearate
- PEG-200 Monostearate
- Macrogol ester (INN)
- Glycol monostearate SE
- Glycols, monostearate
- Pegosperse 50 MS
- Glycol stearate SE
- Alkamuls EGMS/C
- Polyoxyl 8 stearate [USAN:BAN]
- Ablunol EGMS
- Alkamuls SEG
- Schercemol EGMS
- PEG monostearate
- Polyoxyethylene 40 monostearate
- Ethylene glycol monostearate SE
- Myrj 59
- Octadecanoic acid, 41-hydroxy-3,6,9,12,15,18,21,24,27,30,33,36,39-tridecaoxahentetra- cont-1-yl ester
- 41-Hydroxy-3,6,9,12,15,18,21,24,-27,30,33,36,39-tridecaoxahentetr- acont-1-yl octadecanoate
- Tegin G
- Octadecanoic acid, 17-hydroxy-3,6,9,12,15-pentaoxaheptadec-1-yl ester
- 26-Hydroxy-3,6,9,12,15,18,21,24-octaoxahexacos-1-yl octadecanoate
- Poly(oxy-1,2-ethanediyl), alpha-(1-oxooctadecyl)-omega-hydroxy-
- 17-Hydroxy-3,6,9,12,15-pentaoxaheptadec-1-yl octadecanoate
- W-109413
- Poly(oxy-1,2-ethanediyl), alpha-1-(oxooctadecyl)-omega-hydroxy-
- alpha-(1-Oxooctadecyl)-omega-hydroxypoly(oxy-1,2-ethanediyl)
- Glycol, polyethylene monostearate #200
- 60S
- Polyethylene glycol monostearate #40
- Poly(oxy-1,2-ethanediyl), .alpha.-(1-oxooctadecyl)-.omega.-hydroxy-
- Stearic acid, monoester with polyethylene glycol
- S 151
- 40S
- Stearic acid, monoester with ethylene glycol
- POLYOXYETHYLENE STEARATE
- Poly(oxyethylene) monostearate
- Glycol polyethylene monostearate #200
- S 1116
- S 1054
- S 1042
- S 1016
- S 1012
- S 1004
- Macrogol stearate 2000
- S 541
- Crill 20,21,22,23
- Polyoxyethylene-(40)-monostearate
- Polyoxyethylate (9) stearic acid
- Polyoxyethylene stearate (mol. wt. 600-2000)
- Polyethyleneglycols monostearate
- X-489-R
- Polyethyleneglycols monstearate
- Ethylene glycol, monostearate
- USAF KE-11
- PMS No. 2
- PMS No. 1
- Polyoxyethylene monostearate
- Glycols, polyethylene, monostearate
- STEARIC ACID, 2-HYDROXYETHYL ESTER
- Polyethylene oxide stearate
- Polyethylene glycol 8 monostearate
- Glycol, polyethylene monostearate #6000
- Polyethylene glycol monostearate #6000
- Polyethylene glycol monostearate #1000
- Polyethylene glycol (100) monostearate
- Stabilisant delta-118
- Ethylene glycol stearate
- Polyethylene glycol monostearate #400
- Polyethylene glycol monostearate #200
- PEG 42
- PEG 1000MS
- MYS 45
- MYS 40
- LX 3
- Emanon 3199
- Magi 45
- Polyoxyl 50 stearate
- PEG 600MS
- PEG 100MS
- Empilan 2848
- Emerest 2350
- Poly(oxyethylene) stearic acid ester
- MYRJ 52
- MYRJ 49
- Emulphor VT-650
- Slovasol MKS 16
- Polyoxyethylene 50 stearate
- PEG-10 Stearate
- Polyoxyl 8 stearate
- Polyethylene glycol stearate
- Lipo EGMS
- Polyoxyethylene(8)stearate
- Poly(oxyethylene) stearate
- Ionet MS-1000
- Trydet SA series
- Lipal 400-S
- Polyethylene oxide monostearate
- Clindrol SEG
- Polyoxyethylene-8-monostearate
- Perphinol 45/100
- Ethoxylated stearic acid
- OCTADECANOIC ACID, 2-HYDROXYETHYL ESTER
- Myrj 53
- Myrj 51
- Ethofat 60/25
- Ethofat 60/20
- Ethofat 60/15
- Emunon 3115
- Prodhybas N
- Kessco X-211
- Prodhybase ethyl
- Myrj 52S
- Nissan Nonion S 15
- Carbowax 4000 monostearate
- Carbowax 1000 monostearate
- Tego-stearate
- Myrj solution
- Empilan CQ-100
- Empilan CP-100
- Usaf ke-14
- Usaf ke-12
- Trydet SA 40
- Nonion S 15
- Nikkol MYS-25
- Nikkol MYS 45
- Nikkol MYS 40
- Lipo-Peg 4-S
- PEG-150 stearate
- Nonex 63
- Nonex 54
- Nonex 53
- Nonex 36
- Nonex 29
- Nonex 28
- Lipal 15S
- Ivorit
- Stearox 920
- Sedetol
- Parastarin
- Monthyle
- Monthybase
- Nissan Nonion S-2
- Usaf ke-9
- Nonion S 4
- Nonion S 2
- Nikkol MYS 4
- Emery 15393
- Stearoks 920
- Prodhybase 4000
- PEG-40 stearate
- PEG-8 Stearate
- Stenol 8
- Arosurf 1855E40
- Glycol monostearate
- Emcol H 35-A
- Stearox 6
- Pegosperse S 9
- Nikkol MYS
- Stearoxa-6
- Stearoks 6
- Myrj 45
- Emanon 3113
- Soromin-SG
- Lamacit CA
- Emerest 2640
- PEG stearate
- 9004-99-3
- Polystate B
- Prodhybase P
- Akyporox S 100
- Myrj
- Cerasynt 660
- Lactine
- Polystate
- Cithrol 10MS
- Ethylene glycol monostearate
- Polyoxyl 40 stearate
- Cithrol PS
- Cerasynt MN
- Clearate G
- Cerasynt M
- Glycol stearate
- Cremophor A
- 2-Hydroxyethyl stearate
- Polyethylene glycol monostearate
Polyethylene glycol monostearate Identification Summary Frequently Asked Questions (FAQs)
What’s the chemical formula of Polyethylene glycol monostearate? |
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C20H40O3 |
How many atoms and what are they in the Polyethylene glycol monostearate structure? |
63 atom(s) - 40 Hydrogen atom(s), 20 Carbon atom(s), and 3 Oxygen atom(s) |
How many chemical bonds and what are they in the Polyethylene glycol monostearate structure? |
62 bond(s) - 22 non-H bond(s), 1 multiple bond(s), 19 rotatable bond(s), 1 double bond(s), 1 ester(s) (aliphatic), 1 hydroxyl group(s), and 1 primary alcohol(s) |
What’s the molecular weight of Polyethylene glycol monostearate? |
328.5298 g/mol |
What’s the SMILES string of Polyethylene glycol monostearate? |
CCCCCCCCCCCCCCCCCC(=O)OCCO |
What’s the InChI of Polyethylene glycol monostearate? |
InChI=1S/C20H40O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(22)23-19-18-21/h21H,2-19H2,1H3 |
What’s the InChIKey of Polyethylene glycol monostearate? |
RFVNOJDQRGSOEL-UHFFFAOYSA-N |