HuagongsheHuagongshe Chemistry Print Report · For research reference only
Diethyl 2-allyl-2-(2-methylallyl)malonate
Diethyl 2-allyl-2-(2-methylallyl)malonate
Identifiers & Physical Properties
| CAS No. | 5309-50-2 |
|---|---|
| Molecular formula | C14H22O4 |
| Average molar mass | 254.32 g/mol |
| Monoisotopic mass | 254.15180918 g/mol |
| SMILES | C=CCC(CC(=C)C)(C(=O)OCC)C(=O)OCC |
| InChIKey | SBCXXCUHJQSEFQ-UHFFFAOYSA-N |
| PubChem CID | 251069 |
| DTXSID | DTXSID90967613 |
Chemical & Physical Properties
| XLogP | 3.6 |
|---|---|
| Topological polar surface area | 52.6 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 10 |
| Heavy atoms | 18 |
| Formal charge | 0 |
| Complexity | 313 |
| Storage conditions | Refrigerator |
| Solubility | Chloroform, Ethyl Acetate |
| Physical state | Colourless Liquid |
Applications & Uses
Uses
Diethyl 2-allyl-2-(2-methylallyl)malonate is anintermediate in the synthesis of 5-Allyl-5-methallyl-barbituric Acid can be used as analyte in analytical study for identification of impurities in bulk butalbital by HPLC using UV detection, MS and NMR characterization.