1-Butene | SBID = 314 | Compound |
Structure
Molecular Properties
| Interactions: | 2 | ||
| PubChem TPSA/Å2: | 0.0 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 2.4 | ||
| 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): | 1.0 | ||
| 3D Volume/Å3: | 57.4 | ||
| Sum Formula: | C4H8 | ||
| M / g/mol: | 56.108 | ||
| Complexity: | 14.0 | ||
| Number of Conformers: | 3.0 |
Identifiers
- Tags: aliphatic, hydrocarbon, unsaturated, typical guest
- Name: 1-Butene
- Preferred Abbreviation: 1-Butene
- IUPAC Name: but-1-ene
- CAS: 106-98-9
- CID: 7844
- InChiKey: VXNZUUAINFGPBY-UHFFFAOYSA-N
- InChi: InChI=1S/C4H8/c1-3-4-2/h3H,1,4H2,2H3
- CanoSmiles: CCC=C
- IsoSmiles: CCC=C
