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Molecule
(2S)-2-Methyloxirane
CAS: 16088-62-3 · C3H6O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 16088-62-3
- Molecular Formula
- C3H6O
- Molecular Mass
- 58.08 g/mol
Identifiers
CAS Registry Number
16088-62-3
SMILES
C[C@H]1CO1
InChI Key
GOOHAUXETOMSMM-VKHMYHEASA-N
InChI
InChI=1S/C3H6O/c1-3-2-4-3/h3H,2H2,1H3/t3-/m0/s1
Names and Synonyms
- (2S)-2-Methyloxirane Synonym
- Oxirane, 2-methyl-, (2S)- Synonym
- Oxirane, methyl-, (2S)- Synonym
- (2S)-2-Methyloxirane Synonym
- (-)-Propylene oxide Synonym
- l-Propylene oxide Synonym
- (S)-Propylene oxide Synonym
- (S)-2-Methyloxirane Synonym
- (S)-(-)-Propylene oxide Synonym
- (-)-Methyloxirane Synonym
- (S)-(-)-Methyloxirane Synonym
- (S)-Methyloxirane Synonym
- S-(-)-1,2-Epoxypropane Synonym
- (S)-Propene oxide Synonym
- (S)-(-)-Propene oxide Synonym
- (2S)-Methyloxirane Synonym
- (S)-1,2-Epoxypropane Synonym
- (2S)-2-Methyloxirane Synonym
- Oxirane, methyl-, (S)- Synonym
- Propylene oxide, (S)-(-)- Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 58.08 g/mol | CAS Common Chemistry |
| Boiling Point | 37 °C | CAS Common Chemistry |
| Canonical SMILES | O1CC1C | CAS Common Chemistry |
| InChI | InChI=1S/C3H6O/c1-3-2-4-3/h3H,2H2,1H3/t3-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=GOOHAUXETOMSMM-VKHMYHEASA-N | CAS Common Chemistry |
| Melting Point | 170-171 °C | CAS Common Chemistry |
| Name | (2S)-2-Methyloxirane | CAS Common Chemistry |
| Heavy Atom Count | 4 | 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 | 0.4051 | RDKit |
| Molar Refractivity | 15.414000000000001 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 58.041864812 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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200 ppm
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| 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 = 58.08 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C3H6O.
