Basic information
- CAS
5309-50-2- Standard SMILES
C=CCC(CC(=C)C)(C(=O)OCC)C(=O)OCC- InChIKey
SBCXXCUHJQSEFQ-UHFFFAOYSA-N- Molecular formula
- C14H22O4
- Average molar mass
- 254.32 g/mol
- Monoisotopic mass
- 254.15180918
Names & identifiers
- Preferred name
- Diethyl 2-allyl-2-(2-methylallyl)malonate
- IUPAC
- diethyl 2-(2-methylprop-2-enyl)-2-prop-2-enylpropanedioate
- English name
- Diethyl 2-allyl-2-(2-methylallyl)malonate
- Molecular formula
- C14H22O4
- Molecular weight
- 254.32208
Names & synonyms
5309-50-2diethyl 2-allyl-2-(2-methylallyl)malonateDiethyl2-allyl-2-(2-methylallyl)malonateNSC71208SCHEMBL526722DTXSID90967613SBCXXCUHJQSEFQ-UHFFFAOYSA-NFAA30950NSC-71208Diethyl 2-allyl-2-(2-methyl allyl)malonateDiethyl (2-methylprop-2-en-1-yl)(prop-2-en-1-yl)propanedioate
Database identifiers
- CAS
5309-50-2- PubChem CID
- 251069
- DTXSID
DTXSID90967613- Nikkaji
- J631.489I
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 313
Physicochemical properties
- storage temp.
- Refrigerator
- solubility
- Chloroform, Ethyl Acetate
- form
- Colourless Liquid
Chemistry & industry
Applications
UsesDiethyl 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.
Suppliers3 total
上海柯维化学技术有限公司021-64609169 18901607656 · [email protected]
湖北扬信医药科技有限公司15374522761 · [email protected]
华阴市赛普生物科技有限公司13892502238 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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