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Molecule
Vinylcyclohexane
CAS: 695-12-5 · C8H14
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 695-12-5
- Molecular Formula
- C8H14
- Molecular Mass
- 110.20 g/mol
Identifiers
CAS Registry Number
695-12-5
SMILES
C=CC1CCCCC1
InChI Key
LDLDYFCCDKENPD-UHFFFAOYSA-N
InChI
InChI=1S/C8H14/c1-2-8-6-4-3-5-7-8/h2,8H,1,3-7H2
Names and Synonyms
- Vinylcyclohexane Common Name
- Hexahydrostyrene Synonym
- NSC 73939 Synonym
- 4-Vinylcyclohexane Synonym
- 1-Cyclohexylethene Synonym
- Cyclohexane, ethenyl- Synonym
- Cyclohexane, vinyl- Synonym
- Ethenylcyclohexane Synonym
- Vinylcyclohexane Synonym
- Cyclohexylethylene Synonym
- Cyclohexylethene Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 110.20 g/mol | CAS Common Chemistry |
| 110.2 g/mol | RDKit | |
| Density | 0.84 g/cm³ | CAS Common Chemistry |
| 0.842 g/cm3 @ 0 °C | CAS Common Chemistry | |
| Boiling Point | 128 °C | CAS Common Chemistry |
| Canonical SMILES | C=CC1CCCCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C8H14/c1-2-8-6-4-3-5-7-8/h2,8H,1,3-7H2 | CAS Common Chemistry |
| InChI Key | InChIKey=LDLDYFCCDKENPD-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 121 °C | CAS Common Chemistry |
| Name | Vinylcyclohexane | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 2.752700000000001 | RDKit |
| 2.7527 | RDKit | |
| 2.76 | chempirical lib | |
| Molar Refractivity | 36.772 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.75 | RDKit |
| Exact Mass | 110.109550448 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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Quick conversion
MW = 110.20 g/mol; density = 0.840 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C8H14.
