Application
Diethylisobutyroylmalonate is a useful compound for preparing housefly GABA receptors.
| Pubchem Sid | 488189372 |
|---|---|
| Canonical Smiles | CCOC(=O)C(C(=O)C(C)C)C(=O)OCC |
| IUPAC Name | diethyl 2-(2-methylpropanoyl)propanedioate |
| InChIKey | CBFJLYQEACAOLC-UHFFFAOYSA-N |
| INCHI | 1S/C11H18O5/c1-5-15-10(13)8(9(12)7(3)4)11(14)16-6-2/h7-8H,5-6H2,1-4H3 |
| Isomeric SMILES | CCOC(=O)C(C(=O)C(C)C)C(=O)OCC |
| Molecular Weight | 230.26 |
| Reaxy-Rn | 1711691 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1711691&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic acids and derivatives |
| Class | Keto acids and derivatives |
| Subclass | Beta-keto acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Beta-keto acids and derivatives |
| Alternative Parents | Fatty acid esters Dicarboxylic acids and derivatives 1,3-dicarbonyl compounds Ketones Carboxylic acid esters Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Fatty acid ester - Beta-keto acid - Fatty acyl - 1,3-dicarbonyl compound - Dicarboxylic acid or derivatives - Ketone - Carboxylic acid ester - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as beta-keto acids and derivatives. These are organic compounds containing an aldehyde substituted with a keto group on the C3 carbon atom. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 B2304433 | Certificate of Analysis | Nov 10, 2025 | D351838 |
| B2304386 | Certificate of Analysis | Nov 10, 2025 | D351838 |
| B2304376 | Certificate of Analysis | Nov 10, 2025 | D351838 |
| B2304344 | Certificate of Analysis | Nov 10, 2025 | D351838 |
| B2304254 | Certificate of Analysis | Nov 10, 2025 | D351838 |
| B2304205 | Certificate of Analysis | Nov 10, 2025 | D351838 |
| C2521307 | Certificate of Analysis | Oct 21, 2022 | D351838 |
| Solubility | Chloroform (Slightly), Methanol (Slightly) |
|---|---|
| Boil Point(°C) | 115/ 4mm |
| Molecular Weight | 230.260 g/mol |
| XLogP3 | 1.900 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 8 |
| Exact Mass | 230.115 Da |
| Monoisotopic Mass | 230.115 Da |
| Topological Polar Surface Area | 69.700 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 252.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
