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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 Mass:
140.18 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
Key Properties
Boiling Point
227 °C @ Press: 760 Torr
CAS Common Chemistry
Melting Point
<-55 °C
CAS Common Chemistry
Density
1.10 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 | 140.18 g/mol | CAS Common Chemistry |
| 140.182 g/mol | RDKit | |
| 140.083729624 g/mol | RDKit | |
| Density | 1.10 g/cm³ | CAS Common Chemistry |
| 1.0986 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Vinylcyclohexene_dioxide | CAS Common Chemistry |
| Boiling Point | 227 °C @ Press: 760 Torr | CAS Common Chemistry |
| Canonical SMILES | O1CC1C2CCC3OC3C2 | CAS Common Chemistry |
| InChI | InChI=1S/C8H12O2/c1-2-6-7(10-6)3-5(1)8-4-9-8/h5-8H,1-4H2 | CAS Common Chemistry |
| InChI Key | InChIKey=OECTYKWYRCHAKR-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | <-55 °C | CAS Common Chemistry |
| Name | Vinylcyclohexene diepoxide | CAS Common Chemistry |
| Vinylcyclohexene dioxide | CAS Common Chemistry | |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 25.06 Ų | RDKit |
| LogP | 0.9527 | RDKit |
| Molar Refractivity | 35.742 | RDKit |
