1,2-Butylene oxide | SBID = 696 | Compound |
Structure
Molecular Properties
| Interactions: | 2 | ||
| PubChem TPSA/Å2: | 12.5 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 0.8 | ||
| 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): | 1.0 | ||
| 3D Volume/Å3: | 64.6 | ||
| Sum Formula: | C4H8O | ||
| M / g/mol: | 72.11 | ||
| Complexity: | 34.0 | ||
| Number of Conformers: | 4.0 |
Identifiers
- Tags: typical guest
- Name: 1,2-Butylene oxide
- Preferred Abbreviation: 1,2-Butylene oxide
- IUPAC Name: 2-ethyloxirane
- CAS: 106-88-7
- CID: 7834
- InChiKey: RBACIKXCRWGCBB-UHFFFAOYSA-N
- InChi: InChI=1S/C4H8O/c1-2-4-3-5-4/h4H,2-3H2,1H3
- CanoSmiles: CCC1CO1
- IsoSmiles: CCC1CO1
