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Molecule
Cyclopentene, Oxide
CAS: 285-67-6 · C5H8O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 285-67-6
- Molecular Formula
- C5H8O
- Molecular Mass
- 84.12 g/mol
Identifiers
CAS Registry Number
285-67-6
SMILES
C1CC2OC2C1
InChI Key
GJEZBVHHZQAEDB-UHFFFAOYSA-N
InChI
InChI=1S/C5H8O/c1-2-4-5(3-1)6-4/h4-5H,1-3H2
Names and Synonyms
- Cyclopentene, Oxide Systematic Name
- 6-Oxabicyclo[3.1.0]hexane Synonym
- Cyclopentane, 1,2-epoxy- Synonym
- Cyclopentene oxide Synonym
- Epoxycyclopentane Synonym
- Cyclopentene, oxide Synonym
- Cyclopentene epoxide Synonym
- Cyclopentane oxide Synonym
- 1,2-Epoxycyclopentane Synonym
- cis-1,2-Epoxycyclopentane Synonym
- (±)-6-Oxabicyclo[3.1.0]hexane Synonym
- NSC 148216 Synonym
- NSC 196230 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 84.12 g/mol | CAS Common Chemistry |
| 84.118 g/mol | RDKit | |
| Density | 0.97 g/cm³ | CAS Common Chemistry |
| 0.9670 g/cm3 @ 23 °C | CAS Common Chemistry | |
| Boiling Point | 102 °C | CAS Common Chemistry |
| Canonical SMILES | O1C2CCCC12 | CAS Common Chemistry |
| InChI | InChI=1S/C5H8O/c1-2-4-5(3-1)6-4/h4-5H,1-3H2 | CAS Common Chemistry |
| InChI Key | InChIKey=GJEZBVHHZQAEDB-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 136-137 °C | CAS Common Chemistry |
| Name | Cyclopentene, oxide | CAS Common Chemistry |
| Heavy Atom Count | 6 | 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 | 0.9377 | RDKit |
| Molar Refractivity | 22.51199999999999 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 84.057514876 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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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 = 84.12 g/mol; density = 0.970 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C5H8O.
