Back to Search
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
Names and Synonyms:
Cyclooctene Oxide
9-Oxabicyclo[6.1.0]nonane
Cyclooctane, 1,2-epoxy-
Epoxycyclooctane
1,2-Epoxycyclooctane
Cyclooctene epoxide
NSC 59878
Cyclooctane oxide
Cyclooctene oxide
Identifiers:
SMILES:
C1CCCC2OC2CC1
InChI:
InChI=1S/C8H14O/c1-2-4-6-8-7(9-8)5-3-1/h7-8H,1-6H2
Key Properties
Boiling Point
189-190 °C
CAS Common Chemistry
Melting Point
45 °C
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 | 126.20 g/mol | CAS Common Chemistry |
| 126.19899999999998 g/mol | RDKit | |
| 126.104465068 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 |
| Molar Refractivity | 36.36299999999999 | RDKit |
