(2R,3S)-2,3-Dimethyloxirane | SBID = 698 | 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: | 63.9 | ||
| Sum Formula: | C4H8O | ||
| M / g/mol: | 72.11 | ||
| Complexity: | 36.0 | ||
| Number of Conformers: | 1.0 |
Identifiers
- Tags: typical guest
- Name: (2R,3S)-2,3-Dimethyloxirane
- Preferred Abbreviation: cis-2,3-Dimethyloxirane
- IUPAC Name: (2S,3R)-2,3-dimethyloxirane
- CAS: 1758-33-4
- CID: 92162
- InChiKey: PQXKWPLDPFFDJP-ZXZARUISSA-N
- InChi: InChI=1S/C4H8O/c1-3-4(2)5-3/h3-4H,1-2H3/t3-,4+
- CanoSmiles: CC1C(O1)C
- IsoSmiles: C[C@@H]1[C@@H](O1)C
