(1S,2R,5S)-2-Isopropyl-5-methylcyclohexyl benzoate
[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] benzoate
Also Known As: d-menthyl benzoate|Racemic menthyl benzoate|Emtricitabine Impurity 30|EINECS 261-374-0|2-Isopropyl-5-methylcyclohexyl benzoate|[1S- ]-2- -5-methylcyclohexylbenzoate|(1S,2R,5S)-2-Isopropyl-5-methylcyclohexyl benzoate|(1S,2R,5S)-5-methyl-2-(propan-2-yl)cyclohexyl benzoate|[1S-(1alpha,2beta,5alpha)]-2-(isopropyl)-5-methylcyclohexyl benzoate|(1R,2S,4S)-1-Isopropyl-2-(benzoyloxy)-4-methylcyclohexane|Benzoic acid (1S)-2beta-isopropyl-5alpha-methylcyclohexyl ester|(1S)-5alpha-Methyl-2beta-isopropylcyclohexan-1alpha-ol benzoate|Benzoic acid ((1S,2R,5S)-2-isopropyl-5-methylcyclohexyl) ester|(1S-(1alpha,2beta,5alpha))-2-(Isopropyl)-5-methylcyclohexyl benzoate|Benzoic acid (1S)-2beta-isopropyl-5alpha-methylcyclohexane-1alpha-yl ester|Cyclohexanol, 5-methyl-2-(1-methylethyl)-, 1-benzoate, (1S,2R,5S)-|Cyclohexanol,5-methyl-2-(1-methylethyl)-, 1-benzoate, (1S,2R,5S)-
| Molecular Formula | C17H24O2 |
|---|---|
| Molecular Weight | 260.17764 g/mol |
| LogP | 4.3042 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 260.17764 |
| Monoisotopic Mass | 260.17764 |
| Heavy Atoms | 19 |
| Complexity | 410.53006 |
Chemical Identifiers
| CAS Number | 58641-29-5 |
|---|---|
| SMILES | C[C@H]1CC[C@@H]([C@H](C1)OC(=O)C2=CC=CC=C2)C(C)C |
Product Overview
(1S,2R,5S)-2-Isopropyl-5-methylcyclohexyl benzoate (CAS 58641-29-5), with molecular formula C17H24O2 and molecular weight 260.17764 g/mol. IUPAC: [(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] benzoate.