di(propan-2-yl) 4-hydroxy-2-(3-hydroxyphenyl)-4-methyl-6-oxocyclohexane-1,3-dicarboxylate
Chemical Structure Depiction of
di(propan-2-yl) 4-hydroxy-2-(3-hydroxyphenyl)-4-methyl-6-oxocyclohexane-1,3-dicarboxylate
di(propan-2-yl) 4-hydroxy-2-(3-hydroxyphenyl)-4-methyl-6-oxocyclohexane-1,3-dicarboxylate
Compound characteristics
| Compound ID: | 5665-0076 |
| Compound Name: | di(propan-2-yl) 4-hydroxy-2-(3-hydroxyphenyl)-4-methyl-6-oxocyclohexane-1,3-dicarboxylate |
| Molecular Weight: | 392.45 |
| Molecular Formula: | C21 H28 O7 |
| Smiles: | CC(C)OC(C1C(C(C(=O)OC(C)C)C(C)(CC1=O)O)c1cccc(c1)O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.696 |
| logD: | 2.6876 |
| logSw: | -2.4768 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.215 |
| InChI Key: | CAFOTFFMGDOWMH-UHFFFAOYSA-N |