diethyl 2-(2H-1,3-benzodioxol-5-yl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate
Chemical Structure Depiction of
diethyl 2-(2H-1,3-benzodioxol-5-yl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate
diethyl 2-(2H-1,3-benzodioxol-5-yl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate
Compound characteristics
| Compound ID: | 1630-1082 |
| Compound Name: | diethyl 2-(2H-1,3-benzodioxol-5-yl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate |
| Molecular Weight: | 392.4 |
| Molecular Formula: | C20 H24 O8 |
| Smiles: | CCOC(C1C(C(C(=O)OCC)C(C)(CC1=O)O)c1ccc2c(c1)OCO2)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.2849 |
| logD: | 2.2659 |
| logSw: | -2.4535 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.355 |
| InChI Key: | HSXXKYCRIUTPKT-UHFFFAOYSA-N |