3-bromopentane | SBID = 1091 | Compound |
Structure
Molecular Properties
| Interactions: | 3 | ||
| PubChem TPSA/Å2: | 0.0 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 2.8 | ||
| 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: | 92.4 | ||
| Sum Formula: | C5H11Br | ||
| M / g/mol: | 151.04 | ||
| Complexity: | 23.0 | ||
| Number of Conformers: | 8.0 |
Identifiers
- Tags: typical guest
- Name: 3-bromopentane
- Preferred Abbreviation: 3-Bromopentane
- IUPAC Name: 3-bromopentane
- CAS: 1809-10-5
- CID: 15738
- InChiKey: VTOQFOCYBTVOJZ-UHFFFAOYSA-N
- InChi: InChI=1S/C5H11Br/c1-3-5(6)4-2/h5H,3-4H2,1-2H3
- CanoSmiles: CCC(CC)Br
- IsoSmiles: CCC(CC)Br
