2-{(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)[3-(hydroxymethyl)-4-methoxyphenyl]methyl}-5,5-dimethylcyclohexane-1,3-dione
Chemical Structure Depiction of
2-{(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)[3-(hydroxymethyl)-4-methoxyphenyl]methyl}-5,5-dimethylcyclohexane-1,3-dione
2-{(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)[3-(hydroxymethyl)-4-methoxyphenyl]methyl}-5,5-dimethylcyclohexane-1,3-dione
Compound characteristics
| Compound ID: | 8012-9227 |
| Compound Name: | 2-{(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)[3-(hydroxymethyl)-4-methoxyphenyl]methyl}-5,5-dimethylcyclohexane-1,3-dione |
| Molecular Weight: | 428.53 |
| Molecular Formula: | C25 H32 O6 |
| Smiles: | CC1(C)CC(=C(C(C2C(CC(C)(C)CC2=O)=O)c2ccc(c(CO)c2)OC)C(C1)=O)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.9984 |
| logD: | -0.3347 |
| logSw: | -2.1552 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.746 |
| InChI Key: | UVAGNMCEZQXRBQ-OAQYLSRUSA-N |