Retinal
Representations & DB's id
| ||
| ChEBI: | CHEBI:17898 | |
|---|---|---|
| ChEMBL: | CHEMBL81379 | |
| PubChem: | 638015 | |
| IUPAC: | (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenal | |
| Standard InChI: | InChI=1S/C20H28O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,15H,7,10,14H2,1-5H3/b9-6+,12-11+,16-8+,17-13+ | |
| Standard InChI Key: | NCYCYZXNIZJOKI-OVSJKPMPSA-N | |
| SMILES: | O=C/C=C(/C=C/C=C(/C=C/C1=C(C)CCCC1(C)C)C)C | |
Molecular propeties
| ||
| AlogP: | 5.72 | |
|---|---|---|
| Hydrogen bonds acceptors: | 1 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 5 | |
| Number of rings: | 1 | |
| Molecular Weight: | 284.21 | |
| Topological polar surface area: | 17.1 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.45 | |
| Number of carbons: | 20 | |