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Vinylcyclohexene Dioxide
CAS: 106-87-6 | C8H12O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
106-87-6
Molecular Formula:
C8H12O2
Molecular Weight:
140.182 g/mol
Names and Synonyms:
Vinylcyclohexene Dioxide
7-Oxabicyclo[4.1.0]heptane, 3-(2-oxiranyl)-
7-Oxabicyclo[4.1.0]heptane, 3-(epoxyethyl)-
7-Oxabicyclo[4.1.0]heptane, 3-oxiranyl-
3-(2-Oxiranyl)-7-oxabicyclo[4.1.0]heptane
1,2-Epoxy-4-(epoxyethyl)cyclohexane
4-Vinylcyclohexene diepoxide
4-Vinyl-1-cyclohexene dioxide
1-(Epoxyethyl)-3,4-epoxycyclohexane
4-Vinyl-1,2-cyclohexene diepoxide
4-Vinyl-1-cyclohexene diepoxide
1-Vinyl-3-cyclohexene dioxide
3-(1,2-Epoxyethyl)-7-oxabicyclo[4.1.0]heptane
Vinylcyclohexene diepoxide
3-(Epoxyethyl)-7-oxabicyclo[4.1.0]heptane
4-Vinylcyclohexene dioxide
Chissonox 206 monomer
4-(1,2-Epoxyethyl)-1,2-epoxycyclohexane
NSC 54752
NSC 61281
NSC 7583
Diluent 6206
4-Vinyl-1,2-cyclohexene dioxide
1,2-Epoxy-4-(2-oxiranyl)cyclohexane
3-Oxiranyl-7-oxa-bicyclo[4.1.0]heptane
Identifiers:
SMILES:
C1CC2OC2CC1C1CO1
InChI:
InChI=1S/C8H12O2/c1-2-6-7(10-6)3-5(1)8-4-9-8/h5-8H,1-4H2
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 | 140.18 g/mol | Legacy Database |
| density | 1.10 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Vinylcyclohexene_dioxide None | Legacy Database |
| cas-boiling-point | 227 °C @ Press: 760 Torr None | Legacy Database |
| cas-canonical-smile | O1CC1C2CCC3OC3C2 None | Legacy Database |
| cas-density | 1.0986 g/cm3 @ Temp: 20 °C None | Legacy Database |
| cas-inchi | InChI=1S/C8H12O2/c1-2-6-7(10-6)3-5(1)8-4-9-8/h5-8H,1-4H2 None | Legacy Database |
| cas-inchi-key | InChIKey=OECTYKWYRCHAKR-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | <-55 °C None | Legacy Database |
| cas-name | Vinylcyclohexene diepoxide None | Legacy Database |
| wikipedia-name | Vinylcyclohexene dioxide None | Legacy Database |
| LogP | 0.9527 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 140.182 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 140.083729624 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 10 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 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 | 25.06 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 35.742 | RDKit |
