(2S,3S)-2,3-Dimethyloxirane | SBID = 699 | Compound |
Structure
Molecular Properties
| Interactions: | 2 | ||
| PubChem TPSA/Å2: | 12.5 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 0.7 | ||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 0.0 | ||
| Number of H-Bond Acceptors: | 1.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 2.0 | ||
| 3D Volume/Å3: | 64.3 | ||
| Sum Formula: | C4H8O | ||
| M / g/mol: | 72.11 | ||
| Complexity: | 36.0 | ||
| Number of Conformers: | 1.0 |
Identifiers
- Tags: typical guest
- Name: (2S,3S)-2,3-Dimethyloxirane
- Preferred Abbreviation: trans-dimethyloxirane
- IUPAC Name: (2S,3S)-2,3-dimethyloxirane
- CAS: 21490-63-1
- CID: 30664
- InChiKey: PQXKWPLDPFFDJP-IMJSIDKUSA-N
- InChi: InChI=1S/C4H8O/c1-3-4(2)5-3/h3-4H,1-2H3/t3-,4-/m0/s1
- CanoSmiles: CC1C(O1)C
- IsoSmiles: C[C@H]1[C@@H](O1)C
