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(2R)-2-Ethyloxirane
CAS: 3760-95-0 | C4H8O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
3760-95-0
Molecular Formula:
C4H8O
Molecular Weight:
72.107 g/mol
Names and Synonyms:
(2R)-2-Ethyloxirane
Synonym
Oxirane, 2-ethyl-, (2R)-
Synonym
Oxirane, ethyl-, (R)-
Synonym
Oxirane, ethyl-, (2R)-
Synonym
(2R)-2-Ethyloxirane
Synonym
(R)-1,2-Epoxybutane
Synonym
(R)-Ethyloxirane
Synonym
(R)-(+)-1,2-Epoxybutane
Synonym
(R)-2-Ethyloxirane
Synonym
(R)-1,2-Epoxybutane
Synonym
(R)-2-Ethyloxirane
Synonym
(R)-Epoxybutane
Synonym
(2R)-2-Ethyloxirane
Synonym
(R)-(+)-1,2-Epoxybutane
Synonym
Butane, 1,2-epoxy-, (R)-(+)-
Synonym
Identifiers:
SMILES:
CC[C@@H]1CO1
InChI:
InChI=1S/C4H8O/c1-2-4-3-5-4/h4H,2-3H2,1H3/t4-/m1/s1
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 72.11 g/mol | Legacy Database |
| cas-boiling-point | 63-65 °C @ Press: 760 Torr None | Legacy Database |
| cas-canonical-smile | O1CC1CC None | Legacy Database |
| cas-inchi | InChI=1S/C4H8O/c1-2-4-3-5-4/h4H,2-3H2,1H3/t4-/m1/s1 None | Legacy Database |
| cas-inchi-key | InChIKey=RBACIKXCRWGCBB-SCSAIBSYSA-N None | Legacy Database |
| cas-name | (2R)-2-Ethyloxirane None | Legacy Database |
| LogP | 0.7952 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 72.107 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 72.057514876 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 5 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 1 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 12.53 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 20.030999999999995 | RDKit |