2-[(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)(3,4,5-trimethoxyphenyl)methyl]-5,5-dimethylcyclohexane-1,3-dione
Chemical Structure Depiction of
2-[(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)(3,4,5-trimethoxyphenyl)methyl]-5,5-dimethylcyclohexane-1,3-dione
2-[(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)(3,4,5-trimethoxyphenyl)methyl]-5,5-dimethylcyclohexane-1,3-dione
Compound characteristics
| Compound ID: | 3814-0025 |
| Compound Name: | 2-[(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)(3,4,5-trimethoxyphenyl)methyl]-5,5-dimethylcyclohexane-1,3-dione |
| Molecular Weight: | 458.55 |
| Molecular Formula: | C26 H34 O7 |
| Smiles: | CC1(C)CC(=C(C(C2C(CC(C)(C)CC2=O)=O)c2cc(c(c(c2)OC)OC)OC)C(C1)=O)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5428 |
| logD: | 0.2097 |
| logSw: | -2.2418 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.979 |
| InChI Key: | SMDPPMFMPBQMSR-OAQYLSRUSA-N |