Back to Search
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
Names and Synonyms:
4-Vinylcyclohexene
Cyclohexene, 4-ethenyl-
Cyclohexene, 4-vinyl-
4-Ethenylcyclohexene
4-Vinylcyclohexene
4-Vinyl-1-cyclohexene
1-Vinyl-3-cyclohexene
Vinylcyclohexene
NSC 15760
4-VCH
4-Ethenyl-1-cyclohexene
5-Vinyl-2-cyclohexene
Identifiers:
SMILES:
C=CC1CC=CCC1
InChI:
InChI=1S/C8H12/c1-2-8-6-4-3-5-7-8/h2-4,8H,1,5-7H2
Key Properties
Boiling Point
128 °C @ Press: 760 Torr
CAS Common Chemistry
Melting Point
-108.9 °C
CAS Common Chemistry
Density
0.83 g/cm³
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 108.18 g/mol | CAS Common Chemistry |
| 108.18399999999998 g/mol | RDKit | |
| 108.093900384 g/mol | RDKit | |
| Density | 0.83 g/cm³ | CAS Common Chemistry |
| 0.8299 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/4-Vinylcyclohexene | CAS Common Chemistry |
| Boiling Point | 128 °C @ Press: 760 Torr | 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 |
| Molar Refractivity | 36.678 | RDKit |
