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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 Mass:
58.08 g/mol
Names and Synonyms:
(2S)-2-Methyloxirane
Oxirane, 2-methyl-, (2S)-
Oxirane, methyl-, (2S)-
(2S)-2-Methyloxirane
(-)-Propylene oxide
l-Propylene oxide
(S)-Propylene oxide
(S)-2-Methyloxirane
(S)-(-)-Propylene oxide
(-)-Methyloxirane
(S)-(-)-Methyloxirane
(S)-Methyloxirane
S-(-)-1,2-Epoxypropane
(S)-Propene oxide
(S)-(-)-Propene oxide
(2S)-Methyloxirane
(S)-1,2-Epoxypropane
(2S)-2-Methyloxirane
Oxirane, methyl-, (S)-
Propylene oxide, (S)-(-)-
Identifiers:
SMILES:
C[C@H]1CO1
InChI:
InChI=1S/C3H6O/c1-3-2-4-3/h3H,2H2,1H3/t3-/m0/s1
Key Properties
Boiling Point
37 °C
CAS Common Chemistry
Melting Point
170-171 °C
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 | 58.08 g/mol | CAS Common Chemistry |
| 58.041864812 g/mol | RDKit | |
| 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 | RDKit |
