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Molecule
4-Vinylcyclohexene Oxide
CAS: 106-86-5 · C8H12O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 106-86-5
- Molecular Formula
- C8H12O
- Molecular Mass
- 124.18 g/mol
Identifiers
CAS Registry Number
106-86-5
SMILES
C=CC1CCC2OC2C1
InChI Key
SLJFKNONPLNAPF-UHFFFAOYSA-N
InChI
InChI=1S/C8H12O/c1-2-6-3-4-7-8(5-6)9-7/h2,6-8H,1,3-5H2
Names and Synonyms
- 4-Vinylcyclohexene Oxide Synonym
- 7-Oxabicyclo[4.1.0]heptane, 3-ethenyl- Synonym
- 7-Oxabicyclo[4.1.0]heptane, 3-vinyl- Synonym
- Cyclohexane, 1,2-epoxy-4-vinyl- Synonym
- 3-Ethenyl-7-oxabicyclo[4.1.0]heptane Synonym
- Epoxide 101 Synonym
- 1,2-Epoxy-4-vinylcyclohexane Synonym
- Unoxat epoxide 101 Synonym
- 4-Vinylcyclohexane 1,2-epoxide Synonym
- 1-Vinyl-3,4-epoxycyclohexane Synonym
- 3-Vinyl-7-oxabicyclo[4.1.0]heptane Synonym
- 3,4-Epoxycyclohexylethylene Synonym
- 4-Vinylcyclohexene monoepoxide Synonym
- 4-Vinylcyclohexene oxide Synonym
- 4-Vinylcyclohexane-1-oxide Synonym
- 4-Vinyl-1-cyclohexene-1,2-epoxide Synonym
- Vinyl-3,4-epoxycyclohexane Synonym
- 1-Ethenyl-3-cyclohexene oxide Synonym
- NSC 35409 Synonym
- Cyracure VCMX-C Synonym
- 4-Vinylcyclohexene-1,2-oxide Synonym
- 4-Vinylcyclohexene-1,2-epoxide Synonym
- 4-Vinyl-1-cyclohexane 1,2-epoxide Synonym
- 4-Vinyl-1,2-epoxycyclohexane Synonym
- Vinylcyclohexene oxide Synonym
- Vinylcyclohexene monoxide Synonym
- 4-Vinyl 1,2-cyclohexane oxide Synonym
- TTA 11 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 124.18 g/mol | CAS Common Chemistry |
| 124.18299999999998 g/mol | RDKit | |
| 124.183 g/mol | RDKit | |
| Density | 0.96 g/cm³ | CAS Common Chemistry |
| 0.9598 g/cm3 @ 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 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.75 | RDKit |
| Exact Mass | 124.088815004 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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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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Quick conversion
MW = 124.18 g/mol; density = 0.960 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C8H12O.
