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Molecule
Cyclooctene Oxide
CAS: 286-62-4 · C8H14O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 286-62-4
- Molecular Formula
- C8H14O
- Molecular Mass
- 126.20 g/mol
Identifiers
CAS Registry Number
286-62-4
SMILES
C1CCCC2OC2CC1
InChI Key
MELPJGOMEMRMPL-UHFFFAOYSA-N
InChI
InChI=1S/C8H14O/c1-2-4-6-8-7(9-8)5-3-1/h7-8H,1-6H2
Names and Synonyms
- Cyclooctene Oxide Common Name
- 9-Oxabicyclo[6.1.0]nonane Synonym
- Cyclooctane, 1,2-epoxy- Synonym
- Epoxycyclooctane Synonym
- 1,2-Epoxycyclooctane Synonym
- Cyclooctene epoxide Synonym
- NSC 59878 Synonym
- Cyclooctane oxide Synonym
- Cyclooctene oxide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 126.20 g/mol | CAS Common Chemistry |
| 126.19899999999998 g/mol | RDKit | |
| 126.199 g/mol | RDKit | |
| Boiling Point | 189-190 °C | CAS Common Chemistry |
| Canonical SMILES | O1C2CCCCCCC12 | CAS Common Chemistry |
| InChI | InChI=1S/C8H14O/c1-2-4-6-8-7(9-8)5-3-1/h7-8H,1-6H2 | CAS Common Chemistry |
| InChI Key | InChIKey=MELPJGOMEMRMPL-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 45 °C | CAS Common Chemistry |
| Name | Cyclooctene oxide | CAS Common Chemistry |
| Heavy Atom Count | 9 | 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 | 2.1079999999999997 | RDKit |
| 2.108 | RDKit | |
| Molar Refractivity | 36.36299999999999 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 126.104465068 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 126.20 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C8H14O.
