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Cyclohexene Oxide
CAS: 286-20-4 | C6H10O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
286-20-4
Molecular Formula:
C6H10O
Molecular Mass:
98.14 g/mol
Names and Synonyms:
Cyclohexene Oxide
7-Oxabicyclo[4.1.0]heptane
Cyclohexane, 1,2-epoxy-
1,2-Epoxycyclohexane
1,2-Cyclohexene oxide
Cyclohexene epoxide
Cyclohexylene oxide
Tetramethyleneoxirane
Cyclohexane oxide
cis-1,2-Epoxycyclohexane
2,3-Tetramethyleneoxirane
cis-7-Oxabicyclo[4.1.0]heptane
cis-Cyclohexene oxide
NSC 128074
NSC 5218
Cyclohexene oxide
Identifiers:
SMILES:
C1CCC2OC2C1
InChI:
InChI=1S/C6H10O/c1-2-4-6-5(3-1)7-6/h5-6H,1-4H2
Key Properties
Boiling Point
129-130 °C
CAS Common Chemistry
Melting Point
>-10 °C
CAS Common Chemistry
Density
0.97 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 | 98.14 g/mol | CAS Common Chemistry |
| 98.145 g/mol | RDKit | |
| 98.07316494 g/mol | RDKit | |
| Density | 0.97 g/cm³ | CAS Common Chemistry |
| 0.967 g/cm3 @ Temp: 25 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Cyclohexene_oxide | CAS Common Chemistry |
| Boiling Point | 129-130 °C | CAS Common Chemistry |
| Canonical SMILES | O1C2CCCCC12 | CAS Common Chemistry |
| InChI | InChI=1S/C6H10O/c1-2-4-6-5(3-1)7-6/h5-6H,1-4H2 | CAS Common Chemistry |
| InChI Key | InChIKey=ZWAJLVLEBYIOTI-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | >-10 °C | CAS Common Chemistry |
| Name | Cyclohexene oxide | CAS Common Chemistry |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 12.53 Ų | RDKit |
| LogP | 1.3277999999999999 | RDKit |
| Molar Refractivity | 27.128999999999984 | RDKit |
