Cyclohexanone | SBID = 1266 | Compound |
Structure
Molecular Properties
| Interactions: | 6 | ||
| PubChem TPSA/Å2: | 17.1 | ||
| 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): | 0.0 | ||
| 3D Volume/Å3: | 83.2 | ||
| Sum Formula: | C6H10O | ||
| M / g/mol: | 98.14 | ||
| Complexity: | 68.0 | ||
| Number of Conformers: | 1.0 |
Identifiers
- Tags: typical guest
- Name: Cyclohexanone
- Preferred Abbreviation: Cyclohexanone
- IUPAC Name: cyclohexanone
- CAS: 108-94-1
- CID: 7967
- InChiKey: JHIVVAPYMSGYDF-UHFFFAOYSA-N
- InChi: InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2
- CanoSmiles: C1CCC(=O)CC1
- IsoSmiles: C1CCC(=O)CC1
