Citral
Representations & DB's id
| ||
| ChEBI: | CHEBI:16980 | |
|---|---|---|
| ChEMBL: | CHEMBL1080997 | |
| PubChem: | 638011 | |
| IUPAC: | (2E)-3,7-dimethylocta-2,6-dienal | |
| Standard InChI: | InChI=1S/C10H16O/c1-9(2)5-4-6-10(3)7-8-11/h5,7-8H,4,6H2,1-3H3/b10-7+ | |
| Standard InChI Key: | WTEVQBCEXWBHNA-JXMROGBWSA-N | |
| SMILES: | O=C/C=C(/CCC=C(C)C)C | |
Molecular propeties
| ||
| AlogP: | 2.88 | |
|---|---|---|
| Hydrogen bonds acceptors: | 1 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 4 | |
| Number of rings: | 0 | |
| Molecular Weight: | 152.12 | |
| Topological polar surface area: | 17.1 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.5 | |
| Number of carbons: | 10 | |