Pentane | SBID = 334 | 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: | 72.3 | ||
| Sum Formula: | C5H12 | ||
| M / g/mol: | 72.151 | ||
| Complexity: | 7.0 | ||
| Number of Conformers: | 5.0 |
Identifiers
- Tags: aliphatic, alkane, hydrocarbon, typical guest
- Name: Pentane
- Preferred Abbreviation: Pentane
- IUPAC Name: pentane
- CAS: 109-66-0
- CID: 8003
- InChiKey: OFBQJSOFQDEBGM-UHFFFAOYSA-N
- InChi: InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3
- CanoSmiles: CCCCC
- IsoSmiles: CCCCC
