Oxepane | SBID = 1148 | Compound |
Structure
Molecular Properties
| Interactions: | 3 | ||
| PubChem TPSA/Å2: | 9.2 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 1.3 | ||
| 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): | 0.0 | ||
| 3D Volume/Å3: | 83.7 | ||
| Sum Formula: | C6H12O | ||
| M / g/mol: | 100.16 | ||
| Complexity: | 37.0 | ||
| Number of Conformers: | 4.0 |
Identifiers
- Tags: typical guest
- Name: Oxepane
- Preferred Abbreviation: Oxepane
- IUPAC Name: oxepane
- CAS: 592-90-5
- CID: 11618
- InChiKey: UHHKSVZZTYJVEG-UHFFFAOYSA-N
- InChi: InChI=1S/C6H12O/c1-2-4-6-7-5-3-1/h1-6H2
- CanoSmiles: C1CCCOCC1
- IsoSmiles: C1CCCOCC1
