Linalyl Acetate
Representations & DB's id
| ||
| ChEBI: | CHEBI:78333 | |
|---|---|---|
| ChEMBL: | CHEMBL502773 | |
| PubChem: | 8294 | |
| IUPAC: | 3,7-dimethylocta-1,6-dien-3-yl acetate | |
| Standard InChI: | InChI=1S/C12H20O2/c1-6-12(5,14-11(4)13)9-7-8-10(2)3/h6,8H,1,7,9H2,2-5H3 | |
| Standard InChI Key: | UWKAYLJWKGQEPM-UHFFFAOYSA-N | |
| SMILES: | C=CC(OC(=O)C)(CCC=C(C)C)C | |
Molecular propeties
| ||
| AlogP: | 3.24 | |
|---|---|---|
| Hydrogen bonds acceptors: | 2 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 5 | |
| Number of rings: | 0 | |
| Molecular Weight: | 196.15 | |
| Topological polar surface area: | 26.3 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.583 | |
| Number of carbons: | 12 | |
Plant sources
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
|---|