Structure & Deep Data of Vinyl hexanoate (C8H14O2)
Identification of Vinyl hexanoate Chemical Compound
| Chemical Formula | C8H14O2 |
|---|---|
| Molecular Weight | 142.19556 g/mol |
| IUPAC Name | ethenyl hexanoate |
| SMILES String | CCCCCC(=O)OC=C |
| InChI | InChI=1S/C8H14O2/c1-3-5-6-7-8(9)10-4-2/h4H,2-3,5-7H2,1H3 |
| InChIKey | LZWYWAIOTBEZFN-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 Vinyl hexanoate molecule contains a total of 23 bond(s). There are 9 non-H bond(s), 2 multiple bond(s), 6 rotatable bond(s), 2 double bond(s), and 1 ester(s) (aliphatic). Images of the chemical structure of Vinyl hexanoate are given below:
The 2D chemical structure image of Vinyl hexanoate is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of Vinyl hexanoate 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 Vinyl hexanoate 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 Vinyl hexanoate. 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 Vinyl hexanoate is provided here.
The Vinyl hexanoate 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 Vinyl hexanoate 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 Vinyl hexanoate 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 Vinyl hexanoate Molecule
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SMILES (Simplified Molecular-Input Line-Entry System) string of Vinyl hexanoate
The SMILES string of Vinyl hexanoate is CCCCCC(=O)OC=C, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the Vinyl hexanoate.
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Structure Data File (SDF/MOL File) of Vinyl hexanoate
The structure data file (SDF/MOL File) of Vinyl hexanoate is available for download in the SDF page of Vinyl hexanoate, which provides the information about the atoms, bonds, connectivity and coordinates of Vinyl hexanoate. The Vinyl hexanoate structure data file can be imported to most of the cheminformatics software systems and applications.
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Chemical formula of Vinyl hexanoate
The molecular formula of Vinyl hexanoate is available in chemical formula page of Vinyl hexanoate, 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 Vinyl hexanoate
The molecular weight of Vinyl hexanoate is available in molecular weight page of Vinyl hexanoate, 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 Vinyl hexanoate
The Vinyl hexanoate compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of Vinyl hexanoate including the various registry numbers, if available:
- AR-1L8168
- I14-91109
- C-53693
- MFCD00048869
- 7945AF
- GW724Y19YV
- Hexanoic acid, ethenylester
- n-Caproic acid vinyl ester
- Hexanoic Acid Vinyl Ester
- Hexanoic acid vinyl
- n-Caproic acid vinyl ester (stabilized with HQ)
- Caproic acid, vinyl ester
- VINYL n-CAPROATE
- Hexanoic acid, ethenyl ester
- Hexanoic acid, vinyl ester
- vinyl n-hexanoate
- Vinyl hexoate
- 3050-69-9
- Vinyl caproate
- Vinyl hexanoate
Vinyl hexanoate Identification Summary Frequently Asked Questions (FAQs)
| What’s the chemical formula of Vinyl hexanoate? |
|---|
| C8H14O2 |
| How many atoms and what are the elements included the Vinyl hexanoate molecule? |
| 24 atom(s) - 14 Hydrogen atom(s), 8 Carbon atom(s), and 2 Oxygen atom(s) |
| How many chemical bonds and what kind of bonds are included the Vinyl hexanoate structure? |
| 23 bond(s) - 9 non-H bond(s), 2 multiple bond(s), 6 rotatable bond(s), 2 double bond(s), and 1 ester(s) (aliphatic) |
| What’s the Vinyl hexanoate’s molecular weight? |
| 142.19556 g/mol |
| What’s the SMILES code of Vinyl hexanoate? |
| CCCCCC(=O)OC=C |
| What’s the InChI string of Vinyl hexanoate? |
| InChI=1S/C8H14O2/c1-3-5-6-7-8(9)10-4-2/h4H,2-3,5-7H2,1H3 |
| What’s the InChIKey code of Vinyl hexanoate? |
| LZWYWAIOTBEZFN-UHFFFAOYSA-N |
153
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).