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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 Mass:
124.18 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
Key Properties
Boiling Point
169 °C
CAS Common Chemistry
Melting Point
<-100 °C
CAS Common Chemistry
Density
0.96 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 | 124.18 g/mol | CAS Common Chemistry |
| 124.18299999999998 g/mol | RDKit | |
| 124.088815004 g/mol | RDKit | |
| Density | 0.96 g/cm³ | CAS Common Chemistry |
| 0.9598 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Boiling Point | 169 °C | CAS Common Chemistry |
| Canonical SMILES | O1C2CCC(C=C)CC12 | CAS Common Chemistry |
| InChI | InChI=1S/C8H12O/c1-2-6-3-4-7-8(5-6)9-7/h2,6-8H,1,3-5H2 | CAS Common Chemistry |
| InChI Key | InChIKey=SLJFKNONPLNAPF-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | <-100 °C | CAS Common Chemistry |
| Name | 4-Vinylcyclohexene oxide | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 12.53 Ų | RDKit |
| LogP | 1.7399 | RDKit |
| Molar Refractivity | 36.199 | RDKit |
