Back to Search
Molecule
4-Vinylcyclohexene
CAS: 100-40-3 · C8H12
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 100-40-3
- Molecular Formula
- C8H12
- Molecular Mass
- 108.18 g/mol
Identifiers
CAS Registry Number
100-40-3
SMILES
C=CC1CC=CCC1
InChI Key
BBDKZWKEPDTENS-UHFFFAOYSA-N
InChI
InChI=1S/C8H12/c1-2-8-6-4-3-5-7-8/h2-4,8H,1,5-7H2
Names and Synonyms
- 4-Vinylcyclohexene Systematic Name
- Cyclohexene, 4-ethenyl- Synonym
- Cyclohexene, 4-vinyl- Synonym
- 4-Ethenylcyclohexene Synonym
- 4-Vinylcyclohexene Synonym
- 4-Vinyl-1-cyclohexene Synonym
- 1-Vinyl-3-cyclohexene Synonym
- Vinylcyclohexene Synonym
- NSC 15760 Synonym
- 4-VCH Synonym
- 4-Ethenyl-1-cyclohexene Synonym
- 5-Vinyl-2-cyclohexene Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 108.18 g/mol | CAS Common Chemistry |
| 108.18399999999998 g/mol | RDKit | |
| 108.184 g/mol | RDKit | |
| Density | 0.83 g/cm³ | CAS Common Chemistry |
| 0.8299 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/4-Vinylcyclohexene | CAS Common Chemistry |
| Canonical SMILES | C=CC1CC=CCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C8H12/c1-2-8-6-4-3-5-7-8/h2-4,8H,1,5-7H2 | CAS Common Chemistry |
| InChI Key | InChIKey=BBDKZWKEPDTENS-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -108.9 °C | CAS Common Chemistry |
| Name | Vinylcyclohexene | CAS Common Chemistry |
| 4-Vinylcyclohexene | 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 | 2.5287000000000006 | RDKit |
| 2.5287 | RDKit | |
| 2.41 | chempirical lib | |
| Molar Refractivity | 36.678 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5 | RDKit |
| Exact Mass | 108.093900384 g/mol | RDKit |
| Boiling Point | 128 °C @ 760 Torr | CAS Common Chemistry |
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
Convert
Quick conversion
MW = 108.18 g/mol; density = 0.830 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C8H12.
