Citronellyl Acetate
Representations & DB's id
| ||
| ChEBI: | CHEBI:70478 | |
|---|---|---|
| ChEMBL: | CHEMBL1453648 | |
| PubChem: | 9017 | |
| IUPAC: | 3,7-dimethyloct-6-enyl acetate | |
| Standard InChI: | InChI=1S/C12H22O2/c1-10(2)6-5-7-11(3)8-9-14-12(4)13/h6,11H,5,7-9H2,1-4H3 | |
| Standard InChI Key: | JOZKFWLRHCDGJA-UHFFFAOYSA-N | |
| SMILES: | CC(CCC=C(C)C)CCOC(=O)C | |
Molecular propeties
| ||
| AlogP: | 3.32 | |
|---|---|---|
| Hydrogen bonds acceptors: | 2 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 6 | |
| Number of rings: | 0 | |
| Molecular Weight: | 198.16 | |
| Topological polar surface area: | 26.3 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.75 | |
| Number of carbons: | 12 | |