Oprea1_029616
2-[(4,4-dimethyl-2,6-dioxocyclohexyl)-[3-(hydroxymethyl)-4-methoxyphenyl]methyl]-5,5-dimethylcyclohexane-1,3-dione
Also Known As: Oprea1_029616|Oprea1_622727|BAS 00386142|SR-01000317754-1|2,2'-((3-(hydroxymethyl)-4-methoxyphenyl)methylene)bis(5,5-dimethylcyclohexane-1,3-dione)|2,2'-{[3-(hydroxymethyl)-4-methoxyphenyl]methanediyl}bis(5,5-dimethylcyclohexane-1,3-dione)|2-[(4,4-dimethyl-2,6-dioxocyclohexyl)-[3-(hydroxymethyl)-4-methoxyphenyl]methyl]-5,5-dimethylcyclohexane-1,3-dione|2-[(4,4-dimethyl-2,6-dioxocyclohexyl)[3-(hydroxymethyl)-4-methoxyphenyl]methyl]-5,5-dimethylcyclohexane-1,3-dione
| Molecular Formula | C25H32O6 |
|---|---|
| Molecular Weight | 428.21988 g/mol |
| LogP | 3.4199 |
| Topological Polar Surface Area | 97.74 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 428.21988 |
| Monoisotopic Mass | 428.21988 |
| Heavy Atoms | 31 |
| Complexity | 837.93994 |
Chemical Identifiers
| CAS Number | 302802-34-2 |
|---|---|
| SMILES | CC1(CC(=O)C(C(=O)C1)C(C2C(=O)CC(CC2=O)(C)C)C3=CC(=C(C=C3)OC)CO)C |
Product Overview
Oprea1_029616 (CAS 302802-34-2), with molecular formula C25H32O6 and molecular weight 428.21988 g/mol. IUPAC: 2-[(4,4-dimethyl-2,6-dioxocyclohexyl)-[3-(hydroxymethyl)-4-methoxyphenyl]methyl]-5,5-dimethylcyclohexane-1,3-dione.