Cyclopentanone | SBID = 506 | Compound |
Structure
Molecular Properties
| Interactions: | 7 | ||
| PubChem TPSA/Å2: | 17.1 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 0.4 | ||
| 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: | 72.7 | ||
| Sum Formula: | C5H8O | ||
| M / g/mol: | 84.12 | ||
| Complexity: | 58.0 | ||
| Number of Conformers: | 1.0 |
Identifiers
- Tags: typical guest
- Name: Cyclopentanone
- Preferred Abbreviation: Cyclopentanone
- IUPAC Name: cyclopentanone
- CAS: 120-92-3
- CID: 8452
- InChiKey: BGTOWKSIORTVQH-UHFFFAOYSA-N
- InChi: InChI=1S/C5H8O/c6-5-3-1-2-4-5/h1-4H2
- CanoSmiles: C1CCC(=O)C1
- IsoSmiles: C1CCC(=O)C1
