2-Methylbutane | SBID = 335 | Compound |
Structure
Molecular Properties
| Interactions: | 2 | ||
| PubChem TPSA/Å2: | 0.0 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 2.6 | ||
| 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: | 72.0 | ||
| Sum Formula: | C5H12 | ||
| M / g/mol: | 72.151 | ||
| Complexity: | 14.0 | ||
| Number of Conformers: | 1.0 |
Identifiers
- Tags: aliphatic, hydrocarbon, typical guest
- Name: 2-Methylbutane
- Preferred Abbreviation: Isopentane
- IUPAC Name: 2-methylbutane
- CAS: 78-78-4
- CID: 6556
- InChiKey: QWTDNUCVQCZILF-UHFFFAOYSA-N
- InChi: InChI=1S/C5H12/c1-4-5(2)3/h5H,4H2,1-3H3
- CanoSmiles: CCC(C)C
- IsoSmiles: CCC(C)C
