Structure & Deep Data of Hexanoic acid 4-vinylphenyl ester (C14H18O2)
Identification of Hexanoic acid 4-vinylphenyl ester Chemical Compound
| Chemical Formula | C14H18O2 |
|---|---|
| Molecular Weight | 218.29152 g/mol |
| IUPAC Name | 4-ethenylphenyl hexanoate |
| SMILES String | CCCCCC(=O)Oc1ccc(C=C)cc1 |
| InChI | InChI=1S/C14H18O2/c1-3-5-6-7-14(15)16-13-10-8-12(4-2)9-11-13/h4,8-11H,2-3,5-7H2,1H3 |
| InChIKey | ISLPMUXFIQVEEW-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 Hexanoic acid 4-vinylphenyl ester molecule contains a total of 34 bond(s). There are 16 non-H bond(s), 8 multiple bond(s), 7 rotatable bond(s), 2 double bond(s), 6 aromatic bond(s), 1 six-membered ring(s), and 1 ester(s) (aliphatic). Images of the chemical structure of Hexanoic acid 4-vinylphenyl ester are given below:
The 2D chemical structure image of Hexanoic acid 4-vinylphenyl ester is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of Hexanoic acid 4-vinylphenyl ester 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 Hexanoic acid 4-vinylphenyl ester 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 Hexanoic acid 4-vinylphenyl ester. 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 Hexanoic acid 4-vinylphenyl ester is provided here.
The Hexanoic acid 4-vinylphenyl ester 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 Hexanoic acid 4-vinylphenyl ester 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 Hexanoic acid 4-vinylphenyl ester 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 Hexanoic acid 4-vinylphenyl ester Molecule
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SMILES (Simplified Molecular-Input Line-Entry System) string of Hexanoic acid 4-vinylphenyl ester
The SMILES string of Hexanoic acid 4-vinylphenyl ester is CCCCCC(=O)Oc1ccc(C=C)cc1, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the Hexanoic acid 4-vinylphenyl ester.
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Structure Data File (SDF/MOL File) of Hexanoic acid 4-vinylphenyl ester
The structure data file (SDF/MOL File) of Hexanoic acid 4-vinylphenyl ester is available for download in the SDF page of Hexanoic acid 4-vinylphenyl ester, which provides the information about the atoms, bonds, connectivity and coordinates of Hexanoic acid 4-vinylphenyl ester. The Hexanoic acid 4-vinylphenyl ester structure data file can be imported to most of the cheminformatics software systems and applications.
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Chemical formula of Hexanoic acid 4-vinylphenyl ester
The molecular formula of Hexanoic acid 4-vinylphenyl ester is available in chemical formula page of Hexanoic acid 4-vinylphenyl ester, 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 Hexanoic acid 4-vinylphenyl ester
The molecular weight of Hexanoic acid 4-vinylphenyl ester is available in molecular weight page of Hexanoic acid 4-vinylphenyl ester, 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 Hexanoic acid 4-vinylphenyl ester
The Hexanoic acid 4-vinylphenyl ester compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of Hexanoic acid 4-vinylphenyl ester including the various registry numbers, if available:
- Hexanoic acid 4-vinylphenyl ester
Hexanoic acid 4-vinylphenyl ester Identification Summary Frequently Asked Questions (FAQs)
| What’s the chemical formula of Hexanoic acid 4-vinylphenyl ester? |
|---|
| C14H18O2 |
| How many atoms and what are the elements included the Hexanoic acid 4-vinylphenyl ester molecule? |
| 34 atom(s) - 18 Hydrogen atom(s), 14 Carbon atom(s), and 2 Oxygen atom(s) |
| How many chemical bonds and what kind of bonds are included the Hexanoic acid 4-vinylphenyl ester structure? |
| 34 bond(s) - 16 non-H bond(s), 8 multiple bond(s), 7 rotatable bond(s), 2 double bond(s), 6 aromatic bond(s), 1 six-membered ring(s), and 1 ester(s) (aliphatic) |
| What’s the Hexanoic acid 4-vinylphenyl ester’s molecular weight? |
| 218.29152 g/mol |
| What’s the SMILES code of Hexanoic acid 4-vinylphenyl ester? |
| CCCCCC(=O)Oc1ccc(C=C)cc1 |
| What’s the InChI string of Hexanoic acid 4-vinylphenyl ester? |
| InChI=1S/C14H18O2/c1-3-5-6-7-14(15)16-13-10-8-12(4-2)9-11-13/h4,8-11H,2-3,5-7H2,1H3 |
| What’s the InChIKey code of Hexanoic acid 4-vinylphenyl ester? |
| ISLPMUXFIQVEEW-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).