di-tert-butyl 2-(3,4-dimethoxyphenyl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate
Chemical Structure Depiction of
di-tert-butyl 2-(3,4-dimethoxyphenyl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate
di-tert-butyl 2-(3,4-dimethoxyphenyl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate
Compound characteristics
| Compound ID: | 5340-2736 |
| Compound Name: | di-tert-butyl 2-(3,4-dimethoxyphenyl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate |
| Molecular Weight: | 464.56 |
| Molecular Formula: | C25 H36 O8 |
| Smiles: | CC1(CC(C(C(C1C(=O)OC(C)(C)C)c1ccc(c(c1)OC)OC)C(=O)OC(C)(C)C)=O)O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.9469 |
| logD: | 3.9456 |
| logSw: | -4.2053 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.719 |
| InChI Key: | YNKGDJWIHICHTQ-UHFFFAOYSA-N |