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Molecule
Vinylcyclohexene Dioxide
CAS: 106-87-6 · C8H12O2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 106-87-6
- Molecular Formula
- C8H12O2
- Molecular Mass
- 140.18 g/mol
Identifiers
CAS Registry Number
106-87-6
SMILES
C1CC2OC2CC1C1CO1
InChI Key
OECTYKWYRCHAKR-UHFFFAOYSA-N
InChI
InChI=1S/C8H12O2/c1-2-6-7(10-6)3-5(1)8-4-9-8/h5-8H,1-4H2
Names and Synonyms
- Vinylcyclohexene Dioxide Synonym
- 7-Oxabicyclo[4.1.0]heptane, 3-(2-oxiranyl)- Synonym
- 7-Oxabicyclo[4.1.0]heptane, 3-(epoxyethyl)- Synonym
- 7-Oxabicyclo[4.1.0]heptane, 3-oxiranyl- Synonym
- 3-(2-Oxiranyl)-7-oxabicyclo[4.1.0]heptane Synonym
- 1,2-Epoxy-4-(epoxyethyl)cyclohexane Synonym
- 4-Vinylcyclohexene diepoxide Synonym
- 4-Vinyl-1-cyclohexene dioxide Synonym
- 1-(Epoxyethyl)-3,4-epoxycyclohexane Synonym
- 4-Vinyl-1,2-cyclohexene diepoxide Synonym
- 4-Vinyl-1-cyclohexene diepoxide Synonym
- 1-Vinyl-3-cyclohexene dioxide Synonym
- 3-(1,2-Epoxyethyl)-7-oxabicyclo[4.1.0]heptane Synonym
- Vinylcyclohexene diepoxide Synonym
- 3-(Epoxyethyl)-7-oxabicyclo[4.1.0]heptane Synonym
- 4-Vinylcyclohexene dioxide Synonym
- Chissonox 206 monomer Synonym
- 4-(1,2-Epoxyethyl)-1,2-epoxycyclohexane Synonym
- NSC 54752 Synonym
- NSC 61281 Synonym
- NSC 7583 Synonym
- Diluent 6206 Synonym
- 4-Vinyl-1,2-cyclohexene dioxide Synonym
- 1,2-Epoxy-4-(2-oxiranyl)cyclohexane Synonym
- 3-Oxiranyl-7-oxa-bicyclo[4.1.0]heptane Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 140.18 g/mol | CAS Common Chemistry |
| 140.182 g/mol | RDKit | |
| Density | 1.10 g/cm³ | CAS Common Chemistry |
| 1.0986 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Vinylcyclohexene_dioxide | 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 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 140.083729624 g/mol | RDKit |
| Boiling Point | 227 °C @ 760 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
7
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5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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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.
External Resources
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MW = 140.18 g/mol; density = 1.100 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C8H12O2.
