2-[(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)(5-methylfuran-2-yl)methyl]-5,5-dimethylcyclohexane-1,3-dione
Chemical Structure Depiction of
2-[(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)(5-methylfuran-2-yl)methyl]-5,5-dimethylcyclohexane-1,3-dione
2-[(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)(5-methylfuran-2-yl)methyl]-5,5-dimethylcyclohexane-1,3-dione
Compound characteristics
| Compound ID: | 1630-0288 |
| Compound Name: | 2-[(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)(5-methylfuran-2-yl)methyl]-5,5-dimethylcyclohexane-1,3-dione |
| Molecular Weight: | 372.46 |
| Molecular Formula: | C22 H28 O5 |
| Smiles: | Cc1ccc(C(C2C(CC(C)(C)CC2=O)=O)C2=C(CC(C)(C)CC2=O)O)o1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6109 |
| logD: | 0.4332 |
| logSw: | -2.4683 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.093 |
| InChI Key: | VAYWSYYFZNECBO-HXUWFJFHSA-N |