methyl 4-(2,6-diacetyl-3-hydroxy-3-methyl-5-oxocyclohexyl)benzoate
Chemical Structure Depiction of
methyl 4-(2,6-diacetyl-3-hydroxy-3-methyl-5-oxocyclohexyl)benzoate
methyl 4-(2,6-diacetyl-3-hydroxy-3-methyl-5-oxocyclohexyl)benzoate
Compound characteristics
| Compound ID: | 5665-0122 |
| Compound Name: | methyl 4-(2,6-diacetyl-3-hydroxy-3-methyl-5-oxocyclohexyl)benzoate |
| Molecular Weight: | 346.38 |
| Molecular Formula: | C19 H22 O6 |
| Smiles: | CC(C1C(C(C(C)=O)C(C)(CC1=O)O)c1ccc(cc1)C(=O)OC)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.5682 |
| logD: | 0.7571 |
| logSw: | -1.6474 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.559 |
| InChI Key: | YRDBVESBSOGABM-UHFFFAOYSA-N |