CBMicro_012317
dipropan-2-yl 2-(4-chlorophenyl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate
Also Known As: CBMicro_012317|Oprea1_293159|Oprea1_648679|BAS 01296559|BIM-0012361.P001|AG-690/13704356|dipropan-2-yl 2-(4-chlorophenyl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate|diisopropyl 2-(4-chlorophenyl)-4-hydroxy-4-methyl-6-oxo-1,3-cyclohexanedicarboxylate|diisopropyl 2-(4-chlorophenyl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate|1,3-BIS(PROPAN-2-YL) 2-(4-CHLOROPHENYL)-4-HYDROXY-4-METHYL-6-OXOCYCLOHEXANE-1,3-DICARBOXYLATE|methylethyl 6-(4-chlorophenyl)-2-hydroxy-2-methyl-5-[(methylethyl)oxycarbonyl] -4-oxocyclohexanecarboxylate
| Molecular Formula | C21H27ClO6 |
|---|---|
| Molecular Weight | 410.14963 g/mol |
| LogP | 3.283 |
| Topological Polar Surface Area | 89.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 410.14963 |
| Monoisotopic Mass | 410.14963 |
| Heavy Atoms | 28 |
| Complexity | 729.76764 |
Chemical Identifiers
| CAS Number | 472981-75-2 |
|---|---|
| SMILES | CC(C)OC(=O)C1C(C(C(CC1=O)(C)O)C(=O)OC(C)C)C2=CC=C(C=C2)Cl |
Product Overview
CBMicro_012317 (CAS 472981-75-2), with molecular formula C21H27ClO6 and molecular weight 410.14963 g/mol. IUPAC: dipropan-2-yl 2-(4-chlorophenyl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate.
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