Cyclohexane | SBID = 390 | Compound |
Structure
Molecular Properties
| Interactions: | 4 | ||
| PubChem TPSA/Å2: | 0.0 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 3.4 | ||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 0.0 | ||
| Number of H-Bond Acceptors: | 0.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 0.0 | ||
| 3D Volume/Å3: | 75.9 | ||
| Sum Formula: | C6H12 | ||
| M / g/mol: | 84.162 | ||
| Complexity: | 15.0 | ||
| Number of Conformers: | 1.0 |
Identifiers
- Tags: aliphatic, typical guest
- Name: Cyclohexane
- Preferred Abbreviation: Cyclohexane
- IUPAC Name: cyclohexane
- CAS: 110-82-7
- CID: 8078
- InChiKey: XDTMQSROBMDMFD-UHFFFAOYSA-N
- InChi: InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2
- CanoSmiles: C1CCCCC1
- IsoSmiles: C1CCCCC1
