Diethyl (2-methylbut-3-yn-2-yl)propanedioate
diethyl 2-(2-methylbut-3-yn-2-yl)propanedioate
Also Known As: diethyl 2-(1,1-dimethyl-2-propynyl)malonate|diethyl (2-methylbut-3-yn-2-yl)propanedioate|diethyl 2-(2-methyl-3-butyn-2-yl)malonate|Diethyl 2-(2-methylbut-3-yn-2-yl)malonate|diethyl 2-(2-methylbut-3-yn-2-yl)propanedioate|ethyl 3,3-dimethyl-2-ethoxycarbonylpent-4-ynoate
| Molecular Formula | C12H18O4 |
|---|---|
| Molecular Weight | 226.12051 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 226.12051 |
| Monoisotopic Mass | 226.12051 |
| Heavy Atoms | 16 |
| Complexity | 290.0 |
Chemical Identifiers
| CAS Number | 21079-27-6 |
|---|---|
| SMILES | CCOC(=O)C(C(=O)OCC)C(C)(C)C#C |
| InChIKey | GNCXYZOCHNPJEF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethyl (2-methylbut-3-yn-2-yl)propanedioate (CAS 21079-27-6), with molecular formula C12H18O4 and molecular weight 226.12051 g/mol. IUPAC: diethyl 2-(2-methylbut-3-yn-2-yl)propanedioate.
Diethyl (2-methylbut-3-yn-2-yl)propanedioate is a custom synthesis product. We offer services from milligram to kilogram scale.
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