Methylcyclohexane | SBID = 1213 | Compound |
Structure
Molecular Properties
| Interactions: | 1 | ||
| PubChem TPSA/Å2: | 0.0 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 3.6 | ||
| 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: | 88.8 | ||
| Sum Formula: | C7H14 | ||
| M / g/mol: | 98.19 | ||
| Complexity: | 42.0 | ||
| Number of Conformers: | 4.0 |
Identifiers
- Tags:
- Name: Methylcyclohexane
- Preferred Abbreviation: Methylcyclohexane
- IUPAC Name: methylcyclohexane
- CAS: 108-87-2
- CID: 7962
- InChiKey: UAEPNZWRGJTJPN-UHFFFAOYSA-N
- InChi: InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3
- CanoSmiles: CC1CCCCC1
- IsoSmiles: CC1CCCCC1
