Structure & Deep Data of Methyl 8-nonenoate (C10H18O2)
Identification of Methyl 8-nonenoate Chemical Compound
| Chemical Formula | C10H18O2 |
|---|---|
| Molecular Weight | 170.24872 g/mol |
| IUPAC Name | methyl non-8-enoate |
| SMILES String | COC(=O)CCCCCCC=C |
| InChI | InChI=1S/C10H18O2/c1-3-4-5-6-7-8-9-10(11)12-2/h3H,1,4-9H2,2H3 |
| InChIKey | PWAJIGUTWKGVLP-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 Methyl 8-nonenoate molecule contains a total of 29 bond(s). There are 11 non-H bond(s), 2 multiple bond(s), 8 rotatable bond(s), 2 double bond(s), and 1 ester(s) (aliphatic). Images of the chemical structure of Methyl 8-nonenoate are given below:
The 2D chemical structure image of Methyl 8-nonenoate is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of Methyl 8-nonenoate 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 Methyl 8-nonenoate 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 Methyl 8-nonenoate. 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 Methyl 8-nonenoate is provided here.
The Methyl 8-nonenoate 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 Methyl 8-nonenoate 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 Methyl 8-nonenoate 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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Additional Information for Identifying Methyl 8-nonenoate Molecule
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SMILES (Simplified Molecular-Input Line-Entry System) string of Methyl 8-nonenoate
The SMILES string of Methyl 8-nonenoate is COC(=O)CCCCCCC=C, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the Methyl 8-nonenoate.
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Structure Data File (SDF/MOL File) of Methyl 8-nonenoate
The structure data file (SDF/MOL File) of Methyl 8-nonenoate is available for download in the SDF page of Methyl 8-nonenoate, which provides the information about the atoms, bonds, connectivity and coordinates of Methyl 8-nonenoate. The Methyl 8-nonenoate structure data file can be imported to most of the cheminformatics software systems and applications.
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Chemical formula of Methyl 8-nonenoate
The molecular formula of Methyl 8-nonenoate is available in chemical formula page of Methyl 8-nonenoate, 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 Methyl 8-nonenoate
The molecular weight of Methyl 8-nonenoate is available in molecular weight page of Methyl 8-nonenoate, 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 Methyl 8-nonenoate
The Methyl 8-nonenoate compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of Methyl 8-nonenoate including the various registry numbers, if available:
- non-8-enoic acid methyl ester
- 8-Nonenoic acid methyl ester
- 8-Nonenoicacidmethylester
- 20731-23-1
- 8-Nonenoic acid, methyl ester
- Methyl 8-nonenoate
Methyl 8-nonenoate Identification Summary Frequently Asked Questions (FAQs)
| What’s the chemical formula of Methyl 8-nonenoate? |
|---|
| C10H18O2 |
| How many atoms and what are the elements included the Methyl 8-nonenoate molecule? |
| 30 atom(s) - 18 Hydrogen atom(s), 10 Carbon atom(s), and 2 Oxygen atom(s) |
| How many chemical bonds and what kind of bonds are included the Methyl 8-nonenoate structure? |
| 29 bond(s) - 11 non-H bond(s), 2 multiple bond(s), 8 rotatable bond(s), 2 double bond(s), and 1 ester(s) (aliphatic) |
| What’s the Methyl 8-nonenoate’s molecular weight? |
| 170.24872 g/mol |
| What’s the SMILES code of Methyl 8-nonenoate? |
| COC(=O)CCCCCCC=C |
| What’s the InChI string of Methyl 8-nonenoate? |
| InChI=1S/C10H18O2/c1-3-4-5-6-7-8-9-10(11)12-2/h3H,1,4-9H2,2H3 |
| What’s the InChIKey code of Methyl 8-nonenoate? |
| PWAJIGUTWKGVLP-UHFFFAOYSA-N |
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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).