2-Methylpentane | SBID = 388 | Compound |
Structure
Molecular Properties
| Interactions: | 2 | ||
| PubChem TPSA/Å2: | 0.0 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 3.2 | ||
| 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: | 21.0 | ||
| Number of Conformers: | 2.0 |
Identifiers
- Tags: aliphatic, hydrocarbon, typical guest
- Name: 2-Methylpentane
- Preferred Abbreviation: Isohexane
- IUPAC Name: 2-methylpentane
- CAS: 107-83-5
- CID: 7892
- InChiKey: AFABGHUZZDYHJO-UHFFFAOYSA-N
- InChi: InChI=1S/C6H14/c1-4-5-6(2)3/h6H,4-5H2,1-3H3
- CanoSmiles: CCCC(C)C
- IsoSmiles: CCCC(C)C
