dimethyl 2-(2H-1,3-benzodioxol-5-yl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate
Chemical Structure Depiction of
dimethyl 2-(2H-1,3-benzodioxol-5-yl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate
dimethyl 2-(2H-1,3-benzodioxol-5-yl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate
Compound characteristics
| Compound ID: | D015-0083 |
| Compound Name: | dimethyl 2-(2H-1,3-benzodioxol-5-yl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate |
| Molecular Weight: | 364.35 |
| Molecular Formula: | C18 H20 O8 |
| Smiles: | CC1(CC(C(C(C1C(=O)OC)c1ccc2c(c1)OCO2)C(=O)OC)=O)O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.4739 |
| logD: | 1.4055 |
| logSw: | -1.755 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.195 |
| InChI Key: | AKIVAEMHBBAVNN-UHFFFAOYSA-N |