Structure & Deep Data of 2-Octenoic acid (C8H14O2)
Identification of 2-Octenoic acid Chemical Compound
| Chemical Formula | C8H14O2 |
|---|---|
| Molecular Weight | 142.19556 g/mol |
| IUPAC Name | oct-2-enoic acid |
| SMILES String | CCCCCC=CC(O)=O |
| InChI | InChI=1S/C8H14O2/c1-2-3-4-5-6-7-8(9)10/h6-7H,2-5H2,1H3,(H,9,10) |
| InChIKey | CWMPPVPFLSZGCY-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 2-Octenoic acid molecule contains a total of 23 bond(s). There are 9 non-H bond(s), 2 multiple bond(s), 5 rotatable bond(s), 2 double bond(s), 1 carboxylic acid(s) (aliphatic), and 1 hydroxyl group(s). Images of the chemical structure of 2-Octenoic acid are given below:
The 2D chemical structure image of 2-Octenoic acid is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of 2-Octenoic acid 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 2-Octenoic acid 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 2-Octenoic acid. 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 2-Octenoic acid is provided here.
The 2-Octenoic acid 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 2-Octenoic acid 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 2-Octenoic acid 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 2-Octenoic acid Molecule
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SMILES (Simplified Molecular-Input Line-Entry System) string of 2-Octenoic acid
The SMILES string of 2-Octenoic acid is CCCCCC=CC(O)=O, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the 2-Octenoic acid.
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Structure Data File (SDF/MOL File) of 2-Octenoic acid
The structure data file (SDF/MOL File) of 2-Octenoic acid is available for download in the SDF page of 2-Octenoic acid, which provides the information about the atoms, bonds, connectivity and coordinates of 2-Octenoic acid. The 2-Octenoic acid structure data file can be imported to most of the cheminformatics software systems and applications.
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Chemical formula of 2-Octenoic acid
The molecular formula of 2-Octenoic acid is available in chemical formula page of 2-Octenoic acid, 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 2-Octenoic acid
The molecular weight of 2-Octenoic acid is available in molecular weight page of 2-Octenoic acid, 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 2-Octenoic acid
The 2-Octenoic acid compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of 2-Octenoic acid including the various registry numbers, if available:
- ANW-23327
- 2-Octenoic acid, (Z)-
- heptenecarboxylic acid
- 2-Octenoic acid
2-Octenoic acid Identification Summary Frequently Asked Questions (FAQs)
| What’s the chemical formula of 2-Octenoic acid? |
|---|
| C8H14O2 |
| How many atoms and what are the elements included the 2-Octenoic acid 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 2-Octenoic acid structure? |
| 23 bond(s) - 9 non-H bond(s), 2 multiple bond(s), 5 rotatable bond(s), 2 double bond(s), 1 carboxylic acid(s) (aliphatic), and 1 hydroxyl group(s) |
| What’s the 2-Octenoic acid’s molecular weight? |
| 142.19556 g/mol |
| What’s the SMILES code of 2-Octenoic acid? |
| CCCCCC=CC(O)=O |
| What’s the InChI string of 2-Octenoic acid? |
| InChI=1S/C8H14O2/c1-2-3-4-5-6-7-8(9)10/h6-7H,2-5H2,1H3,(H,9,10) |
| What’s the InChIKey code of 2-Octenoic acid? |
| CWMPPVPFLSZGCY-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).