(2E,4E)-5-(1-Hydroxy-2,6,6-Trimethyl-4-Oxocyclohex-2-En-1-Yl)-3-Methylpenta-2,4-Dienoic Acid
Representations & DB's id
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| ChEBI: | CHEBI:62426 | |
|---|---|---|
| ChEMBL: | CHEMBL1965138 | |
| PubChem: | 5375200 | |
| IUPAC: | (2E,4E)-5-(1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl)-3-methylpenta-2,4-dienoic acid | |
| Standard InChI: | InChI=1S/C15H20O4/c1-10(7-13(17)18)5-6-15(19)11(2)8-12(16)9-14(15,3)4/h5-8,19H,9H2,1-4H3,(H,17,18)/b6-5+,10-7+ | |
| Standard InChI Key: | JLIDBLDQVAYHNE-WEYXYWBQSA-N | |
| SMILES: | OC(=O)/C=C(/C=C/C1(O)C(=CC(=O)CC1(C)C)C)C | |
Molecular propeties
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| AlogP: | 2.25 | |
|---|---|---|
| Hydrogen bonds acceptors: | 3 | |
| Hydrogen bonds donors: | 2 | |
| Rotatable bonds: | 3 | |
| Number of rings: | 1 | |
| Molecular Weight: | 264.14 | |
| Topological polar surface area: | 74.6 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.467 | |
| Number of carbons: | 15 | |