Diethyl 2-isopropyl-2-propylmalonate
diethyl 2-propan-2-yl-2-propylpropanedioate
Also Known As: Diethyl 2-isopropyl-2-propylmalonate|Valproate Impurity 37|Valproic Acid Impurity 6|starbld0002325|Valproate Sodium Impurity 19|diethyl 2-propan-2-yl-2-propylpropanedioate|Diethyl 2-isopropyl-2-propylmalonate #|2-(1-Methylethyl)-2-propylpropanedioic Acid 1,3-Diethyl Ester|Isopropyl-propyl-malonsaeure-diaethylester|Diethyl (propan-2-yl)(propyl)propanedioate|Propanedioic acid, (1-methylethyl)propyl-, diethyl ester|Diethyl 2-propan-2-yl-2-propylpropanedioate; Diethyl 2-isopropyl-2-propyl-propanedioate; 2-Isopropyl-2-propylpropanedioic Acid Diethyl Ester; 2-Isopropyl-2-propyl-malonic Acid Diethyl Ester; Diethyl 2-propan-2-yl-2-propyl-propanedioate; Propanedioic Acid, (1-methylethyl)propyl-, diethyl Ester; Diethyl 2-isopropyl-2-propylmalonate
| Molecular Formula | C13H24O4 |
|---|---|
| Molecular Weight | 244.16747 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 244.16747 |
| Monoisotopic Mass | 244.16747 |
| Heavy Atoms | 17 |
| Complexity | 240.0 |
Chemical Identifiers
| CAS Number | 62391-98-4 |
|---|---|
| SMILES | CCCC(C(C)C)(C(=O)OCC)C(=O)OCC |
| InChIKey | OFOXHBRNNXYCMV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethyl 2-isopropyl-2-propylmalonate (CAS 62391-98-4), with molecular formula C13H24O4 and molecular weight 244.16747 g/mol. IUPAC: diethyl 2-propan-2-yl-2-propylpropanedioate.