Back to Search
4-Vinylcyclohexene Oxide
CAS: 106-86-5 | C8H12O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
106-86-5
Molecular Formula:
C8H12O
Molecular Weight:
124.18299999999998 g/mol
Names and Synonyms:
4-Vinylcyclohexene Oxide
7-Oxabicyclo[4.1.0]heptane, 3-ethenyl-
7-Oxabicyclo[4.1.0]heptane, 3-vinyl-
Cyclohexane, 1,2-epoxy-4-vinyl-
3-Ethenyl-7-oxabicyclo[4.1.0]heptane
Epoxide 101
1,2-Epoxy-4-vinylcyclohexane
Unoxat epoxide 101
4-Vinylcyclohexane 1,2-epoxide
1-Vinyl-3,4-epoxycyclohexane
3-Vinyl-7-oxabicyclo[4.1.0]heptane
3,4-Epoxycyclohexylethylene
4-Vinylcyclohexene monoepoxide
4-Vinylcyclohexene oxide
4-Vinylcyclohexane-1-oxide
4-Vinyl-1-cyclohexene-1,2-epoxide
Vinyl-3,4-epoxycyclohexane
1-Ethenyl-3-cyclohexene oxide
NSC 35409
Cyracure VCMX-C
4-Vinylcyclohexene-1,2-oxide
4-Vinylcyclohexene-1,2-epoxide
4-Vinyl-1-cyclohexane 1,2-epoxide
4-Vinyl-1,2-epoxycyclohexane
Vinylcyclohexene oxide
Vinylcyclohexene monoxide
4-Vinyl 1,2-cyclohexane oxide
TTA 11
Identifiers:
SMILES:
C=CC1CCC2OC2C1
InChI:
InChI=1S/C8H12O/c1-2-6-3-4-7-8(5-6)9-7/h2,6-8H,1,3-5H2
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 124.18 g/mol | Legacy Database |
| density | 0.96 g/cm³ | Legacy Database |
| cas-boiling-point | 169 °C None | Legacy Database |
| cas-canonical-smile | O1C2CCC(C=C)CC12 None | Legacy Database |
| cas-density | 0.9598 g/cm3 @ Temp: 20 °C None | Legacy Database |
| cas-inchi | InChI=1S/C8H12O/c1-2-6-3-4-7-8(5-6)9-7/h2,6-8H,1,3-5H2 None | Legacy Database |
| cas-inchi-key | InChIKey=SLJFKNONPLNAPF-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | <-100 °C None | Legacy Database |
| cas-name | 4-Vinylcyclohexene oxide None | Legacy Database |
| LogP | 1.7399 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 124.18299999999998 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 124.088815004 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 9 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 1 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 12.53 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 36.199 | RDKit |
