2-[(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)(3-methylthiophen-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)(3-methylthiophen-2-yl)methyl]-5,5-dimethylcyclohexane-1,3-dione
2-[(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)(3-methylthiophen-2-yl)methyl]-5,5-dimethylcyclohexane-1,3-dione
Compound characteristics
| Compound ID: | 8006-5196 |
| Compound Name: | 2-[(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)(3-methylthiophen-2-yl)methyl]-5,5-dimethylcyclohexane-1,3-dione |
| Molecular Weight: | 388.53 |
| Molecular Formula: | C22 H28 O4 S |
| Smiles: | Cc1ccsc1C(C1C(CC(C)(C)CC1=O)=O)C1=C(CC(C)(C)CC1=O)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.074 |
| logD: | 0.8964 |
| logSw: | -2.9711 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.019 |
| InChI Key: | CUQFERRNYYMHFF-LJQANCHMSA-N |