Molecular Weight of 2,2,4,4-TETRAMETHYLCYCLOPENTANONE (C9H16O)
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| Chemical Formula | C9H16O |
|---|---|
| Molecular Weight | 140.22274 g/mol |
| IUPAC Name | 2,2,4,4-tetramethylcyclopentan-1-one |
| SMILES String | CC1(C)CC(=O)C(C)(C)C1 |
| InChI | InChI=1S/C9H16O/c1-8(2)5-7(10)9(3,4)6-8/h5-6H2,1-4H3 |
| InChIKey | JDORIKSLMUURSD-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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Molecular Weight Description
The 2,2,4,4-TETRAMETHYLCYCLOPENTANONE molecule consists of 16 Hydrogen atom(s), 9 Carbon atom(s), and 1 Oxygen atom(s) - a total of 26 atom(s). The molecular weight of 2,2,4,4-TETRAMETHYLCYCLOPENTANONE is determined by the sum of the atomic weights of each constituent element multiplied by the number of atoms, which is calculated to be:
140.22274·gmol
The exact term of the above molecular weight is “molar mass”, which is based on the atomic mass of each element. Molecular weight is actually an older term of “relative molar mass” or “molecular mass”, which is a dimensionless quantity equal to the molar mass divided by the molar mass constant defined by 1 g/mol.
Molecular masses are calculated from the standard atomic weights of each nuclide, while molar masses are calculated from the atomic mass of each element. The atomic mass takes into account the isotopic distribution of the element in a given sample.
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Input example for Ethanol:
- 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 2,2,4,4-TETRAMETHYLCYCLOPENTANONE Molecule
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Structure Data File (SDF/MOL File) of 2,2,4,4-TETRAMETHYLCYCLOPENTANONE
The structure data file (SDF/MOL File) of 2,2,4,4-TETRAMETHYLCYCLOPENTANONE is available for download in the SDF page of 2,2,4,4-TETRAMETHYLCYCLOPENTANONE, which provides the information on atoms, bonds, connectivity and coordinates of 2,2,4,4-TETRAMETHYLCYCLOPENTANONE. The 2,2,4,4-TETRAMETHYLCYCLOPENTANONE structure data file can be imported to most of the chemistry-related software, providing three-dimensional visualization and further analysis.
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Chemical structure of 2,2,4,4-TETRAMETHYLCYCLOPENTANONE
The molecular structure image of 2,2,4,4-TETRAMETHYLCYCLOPENTANONE is available in chemical structure page of 2,2,4,4-TETRAMETHYLCYCLOPENTANONE, which provides the molecular geometry information, i.e., the spatial arrangement of atoms in 2,2,4,4-TETRAMETHYLCYCLOPENTANONE and the chemical bonds that hold the atoms together.
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Chemical formula of 2,2,4,4-TETRAMETHYLCYCLOPENTANONE
The molecular formula of 2,2,4,4-TETRAMETHYLCYCLOPENTANONE is given in chemical formula page of 2,2,4,4-TETRAMETHYLCYCLOPENTANONE, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.
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InChI (IUPAC International Chemical Identifier) information of 2,2,4,4-TETRAMETHYLCYCLOPENTANONE
In addition to the molecular weight information, the structural information of 2,2,4,4-TETRAMETHYLCYCLOPENTANONE in a textual expression is available via InChi. The full standard InChI of 2,2,4,4-TETRAMETHYLCYCLOPENTANONE is given below:
InChI=1S/C9H16O/c1-8(2)5-7(10)9(3,4)6-8/h5-6H2,1-4H3
It can provide a way to encode the molecular information of 2,2,4,4-TETRAMETHYLCYCLOPENTANONE 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 2,2,4,4-TETRAMETHYLCYCLOPENTANONE is:
InChIKey=JDORIKSLMUURSD-UHFFFAOYSA-N
It may allow easier web searches for 2,2,4,4-TETRAMETHYLCYCLOPENTANONE. The InChIKey, however, needs to be linked to the full InChI as well in order to get back to the original structure of the 2,2,4,4-TETRAMETHYLCYCLOPENTANONE as the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of 2,2,4,4-TETRAMETHYLCYCLOPENTANONE
There may be different names of the 2,2,4,4-TETRAMETHYLCYCLOPENTANONE compound depending on the various situations of industrial applications, which are given below including the registry numbers if available:
- 2 2 4 4-TETRAMETHYLCYCLOPENTAN-1-ONE
- Cyclopentanone,2,2,4,4-tetramethyl-
- MFCD00045444
- 2,2,4,4-Tetramethyl-cyclopentanone
- 2,2,4,4-Tetramethyl cyclopentanone
- 1309AJ
- 4694-11-5
- 2,2,4,4-TETRAMETHYLCYCLOPENTANONE
- C-50124
2,2,4,4-TETRAMETHYLCYCLOPENTANONE Identification Summary Frequently Asked Questions (FAQs)
| What’s the formula of 2,2,4,4-TETRAMETHYLCYCLOPENTANONE? |
|---|
| C9H16O |
| How many atoms and what are the elements in the 2,2,4,4-TETRAMETHYLCYCLOPENTANONE molecule? |
| 26 atom(s) - 16 Hydrogen atom(s), 9 Carbon atom(s), and 1 Oxygen atom(s) |
| How many chemical bonds and what types of bonds are in the 2,2,4,4-TETRAMETHYLCYCLOPENTANONE structure? |
| 26 bond(s) - 10 non-H bond(s), 1 multiple bond(s), 1 double bond(s), 1 five-membered ring(s), and 1 ketone(s) (aliphatic) |
| What’s the molar mass of 2,2,4,4-TETRAMETHYLCYCLOPENTANONE? |
| 140.22274 g/mol |
| What’s the SMILES format of 2,2,4,4-TETRAMETHYLCYCLOPENTANONE? |
| CC1(C)CC(=O)C(C)(C)C1 |
| What’s the InChI format of 2,2,4,4-TETRAMETHYLCYCLOPENTANONE? |
| InChI=1S/C9H16O/c1-8(2)5-7(10)9(3,4)6-8/h5-6H2,1-4H3 |
| What’s the InChIKey string of 2,2,4,4-TETRAMETHYLCYCLOPENTANONE? |
| JDORIKSLMUURSD-UHFFFAOYSA-N |