Isobutene | SBID = 317 | Compound |
Structure
Molecular Properties
| Interactions: | 2 | ||
| PubChem TPSA/Å2: | 0.0 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 2.1 | ||
| 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: | 57.6 | ||
| Sum Formula: | C4H8 | ||
| M / g/mol: | 56.108 | ||
| Complexity: | 23.0 | ||
| Number of Conformers: | 1.0 |
Identifiers
- Tags: aliphatic, hydrocarbon, unsaturated, typical guest
- Name: Isobutene
- Preferred Abbreviation: Isobutene
- IUPAC Name: 2-methylprop-1-ene
- CAS: 115-11-7
- CID: 8255
- InChiKey: VQTUBCCKSQIDNK-UHFFFAOYSA-N
- InChi: InChI=1S/C4H8/c1-4(2)3/h1H2,2-3H3
- CanoSmiles: CC(=C)C
- IsoSmiles: CC(=C)C
