ethyl {4-[(4,4-dimethyl-2,6-dioxocyclohexyl)(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)methyl]-2-methoxyphenoxy}acetate
Chemical Structure Depiction of
ethyl {4-[(4,4-dimethyl-2,6-dioxocyclohexyl)(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)methyl]-2-methoxyphenoxy}acetate
ethyl {4-[(4,4-dimethyl-2,6-dioxocyclohexyl)(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)methyl]-2-methoxyphenoxy}acetate
Compound characteristics
| Compound ID: | 8006-3538 |
| Compound Name: | ethyl {4-[(4,4-dimethyl-2,6-dioxocyclohexyl)(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)methyl]-2-methoxyphenoxy}acetate |
| Molecular Weight: | 500.59 |
| Molecular Formula: | C28 H36 O8 |
| Smiles: | CCOC(COc1ccc(cc1OC)C(C1C(CC(C)(C)CC1=O)=O)C1=C(CC(C)(C)CC1=O)O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.3849 |
| logD: | 0.0518 |
| logSw: | -2.3612 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.376 |
| InChI Key: | MSOVVXZQLZIHJC-XMMPIXPASA-N |