Neryl Acetate
Representations & DB's id
| ||
| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL2268549 | |
| PubChem: | 1549025 | |
| IUPAC: | [(2Z)-3,7-dimethylocta-2,6-dienyl] acetate | |
| Standard InChI: | InChI=1S/C12H20O2/c1-10(2)6-5-7-11(3)8-9-14-12(4)13/h6,8H,5,7,9H2,1-4H3/b11-8- | |
| Standard InChI Key: | HIGQPQRQIQDZMP-FLIBITNWSA-N | |
| SMILES: | C/C(=C/COC(=O)C)/CCC=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 | |