3-Pentanone | SBID = 996 | Compound |
Structure
Molecular Properties
| Interactions: | 1 | ||
| PubChem TPSA/Å2: | 17.1 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 0.9 | ||
| 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): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 0.0 | ||
| 3D Volume/Å3: | 78.4 | ||
| Sum Formula: | C5H10O | ||
| M / g/mol: | 86.13 | ||
| Complexity: | 41.0 | ||
| Number of Conformers: | 10.0 |
Identifiers
- Tags:
- Name: 3-Pentanone
- Preferred Abbreviation: 3-Pentanone
- IUPAC Name: pentan-3-one
- CAS: 96-22-0
- CID: 7288
- InChiKey: FDPIMTJIUBPUKL-UHFFFAOYSA-N
- InChi: InChI=1S/C5H10O/c1-3-5(6)4-2/h3-4H2,1-2H3
- CanoSmiles: CCC(=O)CC
- IsoSmiles: CCC(=O)CC
