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Structure of 4-pentylnonyl 10-{[4-(dimethylamino)butyl]({10-oxo-10-[(4-pentylnonyl)oxy]decyl})amino}decanoate (C54H108N2O4)

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2D chemical structure image of 4-pentylnonyl 10-{[4-(dimethylamino)butyl]({10-oxo-10-[(4-pentylnonyl)oxy]decyl})amino}decanoate
Chemical Formula C54H108N2O4
Molecular Weight 849.44632 g/mol
IUPAC Name 4-pentylnonyl 10-{[4-(dimethylamino)butyl]({10-oxo-10-[(4-pentylnonyl)oxy]decyl})amino}decanoate
SMILES String CCCCCC(CCCCC)CCCOC(=O)CCCCCCCCCN(CCCCCCCCCC(=O)OCCCC(CCCCC)CCCCC)CCCCN(C)C
InChI InChI=1S/C54H108N2O4/c1-7-11-25-37-51(38-26-12-8-2)41-35-49-59-53(57)43-29-21-17-15-19-23-31-46-56(48-34-33-45-55(5)6)47-32-24-20-16-18-22-30-44-54(58)60-50-36-42-52(39-27-13-9-3)40-28-14-10-4/h51-52H,7-50H2,1-6H3
InChIKey XCOHSVKKCMHSLS-UHFFFAOYSA-N
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Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The 4-pentylnonyl 10-{[4-(dimethylamino)butyl]({10-oxo-10-[(4-pentylnonyl)oxy]decyl})amino}decanoate molecule contains a total of 167 bond(s). There are 59 non-H bond(s), 2 multiple bond(s), 51 rotatable bond(s), 2 double bond(s), 2 ester(s) (aliphatic), and 2 tertiary amine(s) (aliphatic). Images of the chemical structure of 4-pentylnonyl 10-{[4-(dimethylamino)butyl]({10-oxo-10-[(4-pentylnonyl)oxy]decyl})amino}decanoate are given below:

2D chemical structure image of 4-pentylnonyl 10-{[4-(dimethylamino)butyl]({10-oxo-10-[(4-pentylnonyl)oxy]decyl})amino}decanoate
2-dimensional (2D) chemical structure image of 4-pentylnonyl 10-{[4-(dimethylamino)butyl]({10-oxo-10-[(4-pentylnonyl)oxy]decyl})amino}decanoate
3D chemical structure image of 4-pentylnonyl 10-{[4-(dimethylamino)butyl]({10-oxo-10-[(4-pentylnonyl)oxy]decyl})amino}decanoate
3-dimensional (3D) chemical structure image of 4-pentylnonyl 10-{[4-(dimethylamino)butyl]({10-oxo-10-[(4-pentylnonyl)oxy]decyl})amino}decanoate

The 2D chemical structure image of 4-pentylnonyl 10-{[4-(dimethylamino)butyl]({10-oxo-10-[(4-pentylnonyl)oxy]decyl})amino}decanoate is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of 4-pentylnonyl 10-{[4-(dimethylamino)butyl]({10-oxo-10-[(4-pentylnonyl)oxy]decyl})amino}decanoate are implied to be located at the corner(s) and hydrogen atoms attached to carbon atoms are not indicated – each carbon atom is considered to be associated with enough hydrogen atoms to provide the carbon atom with four bonds.

The 3D chemical structure image of 4-pentylnonyl 10-{[4-(dimethylamino)butyl]({10-oxo-10-[(4-pentylnonyl)oxy]decyl})amino}decanoate is based on the ball-and-stick model which displays both the three-dimensional position of the atoms and the bonds between them. The radius of the spheres is therefore smaller than the rod lengths in order to provide a clearer view of the atoms and bonds throughout the chemical structure model of 4-pentylnonyl 10-{[4-(dimethylamino)butyl]({10-oxo-10-[(4-pentylnonyl)oxy]decyl})amino}decanoate. Download structure data file (SDF/MOL) file of this compound.

Interactive 3D Visualization

For a better understanding of the chemical structure, an interactive 3D visualization of 4-pentylnonyl 10-{[4-(dimethylamino)butyl]({10-oxo-10-[(4-pentylnonyl)oxy]decyl})amino}decanoate is provided here.

The 4-pentylnonyl 10-{[4-(dimethylamino)butyl]({10-oxo-10-[(4-pentylnonyl)oxy]decyl})amino}decanoate molecule shown in the visualization screen can be rotated interactively by keep clicking and moving the mouse button. Mouse wheel zoom is available as well – the size of the 4-pentylnonyl 10-{[4-(dimethylamino)butyl]({10-oxo-10-[(4-pentylnonyl)oxy]decyl})amino}decanoate molecule can be increased or decreased by scrolling the mouse wheel.

The information of the atoms, bonds, connectivity and coordinates included in the chemical structure of 4-pentylnonyl 10-{[4-(dimethylamino)butyl]({10-oxo-10-[(4-pentylnonyl)oxy]decyl})amino}decanoate can easily be identified by this visualization. By right-clicking the visualization screen, various other options are available including the visualization of van der Waals surface and exporting to an image file.

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  • CAS #: 64-17-5
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Additional Information for Identifying 4-pentylnonyl 10-{[4-(dimethylamino)butyl]({10-oxo-10-[(4-pentylnonyl)oxy]decyl})amino}decanoate Molecule

  • Other names (synonyms) or registry numbers of 4-pentylnonyl 10-{[4-(dimethylamino)butyl]({10-oxo-10-[(4-pentylnonyl)oxy]decyl})amino}decanoate

    The 4-pentylnonyl 10-{[4-(dimethylamino)butyl]({10-oxo-10-[(4-pentylnonyl)oxy]decyl})amino}decanoate compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of 4-pentylnonyl 10-{[4-(dimethylamino)butyl]({10-oxo-10-[(4-pentylnonyl)oxy]decyl})amino}decanoate including the various registry numbers, if available:



    None available.

4-pentylnonyl 10-{[4-(dimethylamino)butyl]({10-oxo-10-[(4-pentylnonyl)oxy]decyl})amino}decanoate Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of 4-pentylnonyl 10-{[4-(dimethylamino)butyl]({10-oxo-10-[(4-pentylnonyl)oxy]decyl})amino}decanoate?
C54H108N2O4
How many atoms and what are the elements included the 4-pentylnonyl 10-{[4-(dimethylamino)butyl]({10-oxo-10-[(4-pentylnonyl)oxy]decyl})amino}decanoate molecule?
168 atom(s) - 108 Hydrogen atom(s), 54 Carbon atom(s), 2 Nitrogen atom(s), and 4 Oxygen atom(s)
How many chemical bonds and what kind of bonds are included the 4-pentylnonyl 10-{[4-(dimethylamino)butyl]({10-oxo-10-[(4-pentylnonyl)oxy]decyl})amino}decanoate structure?
167 bond(s) - 59 non-H bond(s), 2 multiple bond(s), 51 rotatable bond(s), 2 double bond(s), 2 ester(s) (aliphatic), and 2 tertiary amine(s) (aliphatic)
What’s the 4-pentylnonyl 10-{[4-(dimethylamino)butyl]({10-oxo-10-[(4-pentylnonyl)oxy]decyl})amino}decanoate’s molecular weight?
849.44632 g/mol
What’s the SMILES code of 4-pentylnonyl 10-{[4-(dimethylamino)butyl]({10-oxo-10-[(4-pentylnonyl)oxy]decyl})amino}decanoate?
CCCCCC(CCCCC)CCCOC(=O)CCCCCCCCCN(CCCCCCCCCC(=O)OCCCC(CCCCC)CCCCC)CCCCN(C)C
What’s the InChI string of 4-pentylnonyl 10-{[4-(dimethylamino)butyl]({10-oxo-10-[(4-pentylnonyl)oxy]decyl})amino}decanoate?
InChI=1S/C54H108N2O4/c1-7-11-25-37-51(38-26-12-8-2)41-35-49-59-53(57)43-29-21-17-15-19-23-31-46-56(48-34-33-45-55(5)6)47-32-24-20-16-18-22-30-44-54(58)60-50-36-42-52(39-27-13-9-3)40-28-14-10-4/h51-52H,7-50H2,1-6H3
What’s the InChIKey code of 4-pentylnonyl 10-{[4-(dimethylamino)butyl]({10-oxo-10-[(4-pentylnonyl)oxy]decyl})amino}decanoate?
XCOHSVKKCMHSLS-UHFFFAOYSA-N