Pentyl Hexanoate
Representations & DB's id
| ||
| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL3187784 | |
| PubChem: | 10886 | |
| IUPAC: | pentyl hexanoate | |
| Standard InChI: | InChI=1S/C11H22O2/c1-3-5-7-9-11(12)13-10-8-6-4-2/h3-10H2,1-2H3 | |
| Standard InChI Key: | WRFZKAGPPQGDDQ-UHFFFAOYSA-N | |
| SMILES: | CCCCCOC(=O)CCCCC | |
Molecular propeties
| ||
| AlogP: | 3.3 | |
|---|---|---|
| Hydrogen bonds acceptors: | 2 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 8 | |
| Number of rings: | 0 | |
| Molecular Weight: | 186.16 | |
| Topological polar surface area: | 26.3 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.909 | |
| Number of carbons: | 11 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
|---|