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Cyclopentene, Oxide
CAS: 285-67-6 | C5H8O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
285-67-6
Molecular Formula:
C5H8O
Molecular Weight:
84.118 g/mol
Names and Synonyms:
Cyclopentene, Oxide
Common Name
NSC 196230
Synonym
NSC 148216
Synonym
(±)-6-Oxabicyclo[3.1.0]hexane
Synonym
cis-1,2-Epoxycyclopentane
Synonym
1,2-Epoxycyclopentane
Synonym
Cyclopentane oxide
Synonym
Cyclopentene epoxide
Synonym
Cyclopentene, oxide
Synonym
Epoxycyclopentane
Synonym
Cyclopentene oxide
Synonym
Cyclopentane, 1,2-epoxy-
Synonym
6-Oxabicyclo[3.1.0]hexane
Synonym
Identifiers:
SMILES:
C1CC2OC2C1
InChI:
InChI=1S/C5H8O/c1-2-4-5(3-1)6-4/h4-5H,1-3H2
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 84.118 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 84.057514876 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 6 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 12.53 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 0.9377 | RDKit |
| molecular_mass | 84.12 g/mol | Legacy Database |
| density | 0.97 g/cm³ | Legacy Database |
| cas-boiling-point | 102 °C None | Legacy Database |
| cas-canonical-smile | O1C2CCCC12 None | Legacy Database |
| cas-density | 0.9670 g/cm3 @ Temp: 23 °C None | Legacy Database |
| cas-inchi | InChI=1S/C5H8O/c1-2-4-5(3-1)6-4/h4-5H,1-3H2 None | Legacy Database |
| cas-inchi-key | InChIKey=GJEZBVHHZQAEDB-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 136-137 °C None | Legacy Database |
| cas-name | Cyclopentene, oxide None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 22.51199999999999 | RDKit |