methyl {4-[(4,4-dimethyl-2,6-dioxocyclohexyl)(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)methyl]phenoxy}acetate
Chemical Structure Depiction of
methyl {4-[(4,4-dimethyl-2,6-dioxocyclohexyl)(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)methyl]phenoxy}acetate
methyl {4-[(4,4-dimethyl-2,6-dioxocyclohexyl)(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)methyl]phenoxy}acetate
Compound characteristics
| Compound ID: | 8007-0747 |
| Compound Name: | methyl {4-[(4,4-dimethyl-2,6-dioxocyclohexyl)(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)methyl]phenoxy}acetate |
| Molecular Weight: | 456.54 |
| Molecular Formula: | C26 H32 O7 |
| Smiles: | CC1(C)CC(=C(C(C2C(CC(C)(C)CC2=O)=O)c2ccc(cc2)OCC(=O)OC)C(C1)=O)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.1245 |
| logD: | -0.2086 |
| logSw: | -2.321 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.079 |
| InChI Key: | MANRXDZVFKNMLF-JOCHJYFZSA-N |