2,2'-{[4-(3-hydroxy-3-methylbut-1-yn-1-yl)phenyl]methylene}bis(5,5-dimethylcyclohexane-1,3-dione)
Chemical Structure Depiction of
2,2'-{[4-(3-hydroxy-3-methylbut-1-yn-1-yl)phenyl]methylene}bis(5,5-dimethylcyclohexane-1,3-dione)
2,2'-{[4-(3-hydroxy-3-methylbut-1-yn-1-yl)phenyl]methylene}bis(5,5-dimethylcyclohexane-1,3-dione)
Compound characteristics
| Compound ID: | 8009-2067 |
| Compound Name: | 2,2'-{[4-(3-hydroxy-3-methylbut-1-yn-1-yl)phenyl]methylene}bis(5,5-dimethylcyclohexane-1,3-dione) |
| Molecular Weight: | 450.58 |
| Molecular Formula: | C28 H34 O5 |
| Smiles: | CC1(C)CC(C(C(C2C(CC(C)(C)CC2=O)=O)c2ccc(C#CC(C)(C)O)cc2)C(C1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6469 |
| logD: | -1.7997 |
| logSw: | -3.884 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.259 |
| InChI Key: | AKCBEHQKWYGBDE-UHFFFAOYSA-N |