2-[(5-bromo-3-tert-butyl-2-hydroxyphenyl)(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)methyl]-5,5-dimethylcyclohexane-1,3-dione
Chemical Structure Depiction of
2-[(5-bromo-3-tert-butyl-2-hydroxyphenyl)(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)methyl]-5,5-dimethylcyclohexane-1,3-dione
2-[(5-bromo-3-tert-butyl-2-hydroxyphenyl)(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)methyl]-5,5-dimethylcyclohexane-1,3-dione
Compound characteristics
| Compound ID: | Y508-0996 |
| Compound Name: | 2-[(5-bromo-3-tert-butyl-2-hydroxyphenyl)(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)methyl]-5,5-dimethylcyclohexane-1,3-dione |
| Molecular Weight: | 519.48 |
| Molecular Formula: | C27 H35 Br O5 |
| Smiles: | CC1(C)CC(=C(C(C2C(CC(C)(C)CC2=O)=O)c2cc(cc(c2O)C(C)(C)C)[Br])C(C1)=O)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9553 |
| logD: | 2.6222 |
| logSw: | -4.4523 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.48 |
| InChI Key: | NUHITCRRDQLGEP-OAQYLSRUSA-N |