2,3-Dimethylbutane | SBID = 389 | Compound |
Structure
Molecular Properties
| Interactions: | 2 | ||
| PubChem TPSA/Å2: | 0.0 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 3.4 | ||
| 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: | 85.1 | ||
| Sum Formula: | C6H14 | ||
| M / g/mol: | 86.178 | ||
| Complexity: | 21.0 | ||
| Number of Conformers: | 3.0 |
Identifiers
- Tags: aliphatic, hydrocarbon, typical guest
- Name: 2,3-Dimethylbutane
- Preferred Abbreviation: 2,3-Dimethylbutane
- IUPAC Name: 2,3-dimethylbutane
- CAS: 79-29-8
- CID: 6589
- InChiKey: ZFFMLCVRJBZUDZ-UHFFFAOYSA-N
- InChi: InChI=1S/C6H14/c1-5(2)6(3)4/h5-6H,1-4H3
- CanoSmiles: CC(C)C(C)C
- IsoSmiles: CC(C)C(C)C
