bis(2-methoxyethyl) 2-(2H-1,3-benzodioxol-5-yl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate
Chemical Structure Depiction of
bis(2-methoxyethyl) 2-(2H-1,3-benzodioxol-5-yl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate
bis(2-methoxyethyl) 2-(2H-1,3-benzodioxol-5-yl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate
Compound characteristics
| Compound ID: | 8016-8721 |
| Compound Name: | bis(2-methoxyethyl) 2-(2H-1,3-benzodioxol-5-yl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate |
| Molecular Weight: | 452.46 |
| Molecular Formula: | C22 H28 O10 |
| Smiles: | CC1(CC(C(C(C1C(=O)OCCOC)c1ccc2c(c1)OCO2)C(=O)OCCOC)=O)O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 0.5671 |
| logD: | 0.5481 |
| logSw: | -1.515 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 104.628 |
| InChI Key: | CWUBYUVPEPMVTM-UHFFFAOYSA-N |