n-Hexane | SBID = 387 | Compound |
Structure
Molecular Properties
| Interactions: | 2 | ||
| PubChem TPSA/Å2: | 0.0 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 3.9 | ||
| 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: | 85.2 | ||
| Sum Formula: | C6H14 | ||
| M / g/mol: | 86.178 | ||
| Complexity: | 12.0 | ||
| Number of Conformers: | 10.0 |
Identifiers
- Tags: aliphatic, alkane, hydrocarbon, typical guest
- Name: n-Hexane
- Preferred Abbreviation: Hexane
- IUPAC Name: hexane
- CAS: 110-54-3
- CID: 8058
- InChiKey: VLKZOEOYAKHREP-UHFFFAOYSA-N
- InChi: InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3
- CanoSmiles: CCCCCC
- IsoSmiles: CCCCCC
