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(2S)-2-Methyloxirane
CAS: 16088-62-3 | C3H6O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
16088-62-3
Molecular Formula:
C3H6O
Molecular Weight:
58.08 g/mol
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
Identifiers:
SMILES:
C[C@H]1CO1
InChI:
InChI=1S/C3H6O/c1-3-2-4-3/h3H,2H2,1H3/t3-/m0/s1
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
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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 |
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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 | 58.08 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 58.041864812 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 4 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 | 0.4051 | RDKit |
| molecular_mass | 58.08 g/mol | Legacy Database |
| cas-boiling-point | 37 °C None | Legacy Database |
| cas-canonical-smile | O1CC1C None | Legacy Database |
| cas-inchi | InChI=1S/C3H6O/c1-3-2-4-3/h3H,2H2,1H3/t3-/m0/s1 None | Legacy Database |
| cas-inchi-key | InChIKey=GOOHAUXETOMSMM-VKHMYHEASA-N None | Legacy Database |
| cas-name | (2S)-2-Methyloxirane None | Legacy Database |
| cas-melting-point | 170-171 °C None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 15.414000000000001 | RDKit |