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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 Mass:
84.12 g/mol
Names and Synonyms:
Cyclopentene, Oxide
6-Oxabicyclo[3.1.0]hexane
Cyclopentane, 1,2-epoxy-
Cyclopentene oxide
Epoxycyclopentane
Cyclopentene, oxide
Cyclopentene epoxide
Cyclopentane oxide
1,2-Epoxycyclopentane
cis-1,2-Epoxycyclopentane
(±)-6-Oxabicyclo[3.1.0]hexane
NSC 148216
NSC 196230
Identifiers:
SMILES:
C1CC2OC2C1
InChI:
InChI=1S/C5H8O/c1-2-4-5(3-1)6-4/h4-5H,1-3H2
Key Properties
Boiling Point
102 °C
CAS Common Chemistry
Melting Point
136-137 °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 | 84.12 g/mol | CAS Common Chemistry |
| 84.118 g/mol | RDKit | |
| 84.057514876 g/mol | RDKit | |
| Density | 0.97 g/cm³ | CAS Common Chemistry |
| 0.9670 g/cm3 @ Temp: 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 | RDKit |
