[(2E)-3,7-Dimethylocta-2,6-Dienyl] Butanoate
Representations & DB's id
| ||
| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL3187344 | |
| PubChem: | 5355856 | |
| IUPAC: | [(2E)-3,7-dimethylocta-2,6-dienyl] butanoate | |
| Standard InChI: | InChI=1S/C14H24O2/c1-5-7-14(15)16-11-10-13(4)9-6-8-12(2)3/h8,10H,5-7,9,11H2,1-4H3/b13-10+ | |
| Standard InChI Key: | ZSBOMYJPSRFZAL-JLHYYAGUSA-N | |
| SMILES: | CCCC(=O)OC/C=C(/CCC=C(C)C)C | |
Molecular propeties
| ||
| AlogP: | 4.02 | |
|---|---|---|
| Hydrogen bonds acceptors: | 2 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 7 | |
| Number of rings: | 0 | |
| Molecular Weight: | 224.18 | |
| Topological polar surface area: | 26.3 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.643 | |
| Number of carbons: | 14 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
|---|