Pinacolone | SBID = 890 | Compound | Custom Molecule
Structure
Molecular Properties
| Interactions: | 1 | ||
| PubChem TPSA/Å2: | |||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | |||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 0.0 | ||
| Number of H-Bond Acceptors: | 1.0 | ||
| Number of Stereogenic Bonds (E/Z): | |||
| Number of Stereogenic Atoms (R/S): | |||
| 3D Volume/Å3: | |||
| Sum Formula: | C6H12O | ||
| M / g/mol: | 100.15888 | ||
| Complexity: | |||
| Number of Conformers: |
Identifiers
- Tags: typical guest
- Name: Pinacolone
- Preferred Abbreviation: Pinacolone
- IUPAC Name:
- CAS: 75-97-8
- CID: -283
- InChiKey: PJGSXYOJTGTZAV-UHFFFAOYSA-N
- InChi: InChI=1S/C6H12O/c1-5(7)6(2,3)4/h1-4H3
- CanoSmiles: CC(=O)C(C)(C)C
- IsoSmiles: CC(=O)C(C)(C)C
