Cycloheptane | SBID = 526 | Compound |
Structure
Molecular Properties
| Interactions: | 0 | ||
| PubChem TPSA/Å2: | 0.0 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 4.0 | ||
| 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: | 88.2 | ||
| Sum Formula: | C7H14 | ||
| M / g/mol: | 98.19 | ||
| Complexity: | 19.0 | ||
| Number of Conformers: | 1.0 |
Identifiers
- Tags:
- Name: Cycloheptane
- Preferred Abbreviation: Cycloheptane
- IUPAC Name: cycloheptane
- CAS: 291-64-5
- CID: 9265
- InChiKey: DMEGYFMYUHOHGS-UHFFFAOYSA-N
- InChi: InChI=1S/C7H14/c1-2-4-6-7-5-3-1/h1-7H2
- CanoSmiles: C1CCCCCC1
- IsoSmiles: C1CCCCCC1
