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Molecule
(2S)-2-Ethyloxirane
CAS: 30608-62-9 · C4H8O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 30608-62-9
- Molecular Formula
- C4H8O
- Molecular Mass
- 72.11 g/mol
Identifiers
CAS Registry Number
30608-62-9
SMILES
CC[C@H]1CO1
InChI Key
RBACIKXCRWGCBB-BYPYZUCNSA-N
InChI
InChI=1S/C4H8O/c1-2-4-3-5-4/h4H,2-3H2,1H3/t4-/m0/s1
Names and Synonyms
- (2S)-2-Ethyloxirane Synonym
- Oxirane, 2-ethyl-, (2S)- Synonym
- Butane, 1,2-epoxy-, (S)-(-)- Synonym
- Oxirane, ethyl-, (S)- Synonym
- Oxirane, ethyl-, (2S)- Synonym
- (2S)-2-Ethyloxirane Synonym
- (S)-1,2-Epoxybutane Synonym
- (S)-Ethyloxirane Synonym
- (S)-1-Butene oxide Synonym
- (S)-2-Ethyloxirane Synonym
- (2S)-2-Ethyloxirane Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 72.11 g/mol | CAS Common Chemistry |
| 72.107 g/mol | RDKit | |
| Canonical SMILES | O1CC1CC | CAS Common Chemistry |
| InChI | InChI=1S/C4H8O/c1-2-4-3-5-4/h4H,2-3H2,1H3/t4-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=RBACIKXCRWGCBB-BYPYZUCNSA-N | CAS Common Chemistry |
| Name | (2S)-2-Ethyloxirane | CAS Common Chemistry |
| Heavy Atom Count | 5 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 12.53 Ų | RDKit |
| LogP | 0.7952 | RDKit |
| Molar Refractivity | 20.030999999999995 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 72.057514876 g/mol | RDKit |
| Boiling Point | 56-58 °C @ 760 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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0 ppm
| Shift (ppm) | DEPT | Assignment |
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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 = 72.11 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C4H8O.
