Structure & Deep Data of ETHYL NONADECANOATE (C21H42O2)
Identification of ETHYL NONADECANOATE Chemical Compound
| Chemical Formula | C21H42O2 |
|---|---|
| Molecular Weight | 326.55698 g/mol |
| IUPAC Name | ethyl nonadecanoate |
| SMILES String | CCCCCCCCCCCCCCCCCCC(=O)OCC |
| InChI | InChI=1S/C21H42O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-4-2/h3-20H2,1-2H3 |
| InChIKey | ICVYQLQYVCXJNE-UHFFFAOYSA-N |
Chemical Structure Description
A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The ETHYL NONADECANOATE molecule contains a total of 64 bond(s). There are 22 non-H bond(s), 1 multiple bond(s), 19 rotatable bond(s), 1 double bond(s), and 1 ester(s) (aliphatic). Images of the chemical structure of ETHYL NONADECANOATE are given below:
The 2D chemical structure image of ETHYL NONADECANOATE is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of ETHYL NONADECANOATE 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 ETHYL NONADECANOATE 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 ETHYL NONADECANOATE. Download structure data file (SDF/MOL) file of this compound.
chemical table area
Interactive 3D Visualization
For a better understanding of the chemical structure, an interactive 3D visualization of ETHYL NONADECANOATE is provided here.
The ETHYL NONADECANOATE 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 ETHYL NONADECANOATE 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 ETHYL NONADECANOATE 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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- InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N
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Additional Information for Identifying ETHYL NONADECANOATE Molecule
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SMILES (Simplified Molecular-Input Line-Entry System) string of ETHYL NONADECANOATE
The SMILES string of ETHYL NONADECANOATE is CCCCCCCCCCCCCCCCCCC(=O)OCC, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the ETHYL NONADECANOATE.
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Structure Data File (SDF/MOL File) of ETHYL NONADECANOATE
The structure data file (SDF/MOL File) of ETHYL NONADECANOATE is available for download in the SDF page of ETHYL NONADECANOATE, which provides the information about the atoms, bonds, connectivity and coordinates of ETHYL NONADECANOATE. The ETHYL NONADECANOATE structure data file can be imported to most of the cheminformatics software systems and applications.
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Chemical formula of ETHYL NONADECANOATE
The molecular formula of ETHYL NONADECANOATE is available in chemical formula page of ETHYL NONADECANOATE, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.
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Molecular weight of ETHYL NONADECANOATE
The molecular weight of ETHYL NONADECANOATE is available in molecular weight page of ETHYL NONADECANOATE, which is calculated as the sum of the atomic weights of each constituent element multiplied by the number of atoms of that element in the molecular formula.
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Other names (synonyms) or registry numbers of ETHYL NONADECANOATE
The ETHYL NONADECANOATE compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of ETHYL NONADECANOATE including the various registry numbers, if available:
- J-011699
- C-19882
- N0459
- MFCD00026690
- ANW-23129
- QSPL 087
- QSPL 081
- Nonadecanoic acid,ethyl ester
- Ethyl nonadecanoate #
- Pendadecanal
- n-Nonadecanoic acid ethyl ester
- NONADECANOIC ACID ETHYL ESTER
- Nonadecanoic acid, ethyl ester
- 18281-04-4
ETHYL NONADECANOATE Identification Summary Frequently Asked Questions (FAQs)
| What’s the chemical formula of ETHYL NONADECANOATE? |
|---|
| C21H42O2 |
| How many atoms and what are the elements included the ETHYL NONADECANOATE molecule? |
| 65 atom(s) - 42 Hydrogen atom(s), 21 Carbon atom(s), and 2 Oxygen atom(s) |
| How many chemical bonds and what kind of bonds are included the ETHYL NONADECANOATE structure? |
| 64 bond(s) - 22 non-H bond(s), 1 multiple bond(s), 19 rotatable bond(s), 1 double bond(s), and 1 ester(s) (aliphatic) |
| What’s the ETHYL NONADECANOATE’s molecular weight? |
| 326.55698 g/mol |
| What’s the SMILES code of ETHYL NONADECANOATE? |
| CCCCCCCCCCCCCCCCCCC(=O)OCC |
| What’s the InChI string of ETHYL NONADECANOATE? |
| InChI=1S/C21H42O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-4-2/h3-20H2,1-2H3 |
| What’s the InChIKey code of ETHYL NONADECANOATE? |
| ICVYQLQYVCXJNE-UHFFFAOYSA-N |
165
The contents of this page can freely be shared if cited as follows:
Source: Chemical Compounds Deep Data Source (CCDDS; https://www.molinstincts.com) based on 41 patented QSQN and QN
technology
commercialized into Mol-Instincts database and ChemRTP, ChemEssen, Inc (2024).