7-Oxabicyclo[4.1.0]heptane | SBID = 701 | Compound |
Structure
Molecular Properties
| Interactions: | 2 | ||
| PubChem TPSA/Å2: | 12.5 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 1.2 | ||
| 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: | 81.7 | ||
| Sum Formula: | C6H10O | ||
| M / g/mol: | 98.14 | ||
| Complexity: | 70.0 | ||
| Number of Conformers: | 3.0 |
Identifiers
- Tags: typical guest
- Name: 7-Oxabicyclo[4.1.0]heptane
- Preferred Abbreviation: Cyclohexene oxide
- IUPAC Name: 7-oxabicyclo[4.1.0]heptane
- CAS: 286-20-4
- CID: 9246
- InChiKey: ZWAJLVLEBYIOTI-UHFFFAOYSA-N
- InChi: InChI=1S/C6H10O/c1-2-4-6-5(3-1)7-6/h5-6H,1-4H2
- CanoSmiles: C1CCC2C(C1)O2
- IsoSmiles: C1CCC2C(C1)O2
