n-Butane | SBID = 313 | Compound |
Structure
Molecular Properties
| Interactions: | 2 | ||
| PubChem TPSA/Å2: | 0.0 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 2.9 | ||
| 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: | 59.3 | ||
| Sum Formula: | C4H10 | ||
| M / g/mol: | 58.124 | ||
| Complexity: | 2.0 | ||
| Number of Conformers: | 3.0 |
Identifiers
- Tags: aliphatic, alkane, hydrocarbon, typical guest
- Name: n-Butane
- Preferred Abbreviation: n-Butane
- IUPAC Name: butane
- CAS: 106-97-8
- CID: 7843
- InChiKey: IJDNQMDRQITEOD-UHFFFAOYSA-N
- InChi: InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3
- CanoSmiles: CCCC
- IsoSmiles: CCCC
