Basic information
- CAS
22328-93-4- Standard SMILES
C=CCC(C(=O)OCC)(C(=O)OCC)C(C)CCC- InChIKey
VTRMVPBHEGUYBA-UHFFFAOYSA-N- Molecular formula
- C15H26O4
- Average molar mass
- 270.36 g/mol
- Monoisotopic mass
- 270.18310931
Overview
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Names & identifiers
- Preferred name
- Diethyl (1-methylbutyl)allylmalonate
- IUPAC
- diethyl 2-pentan-2-yl-2-prop-2-enylpropanedioate
- English name
- diethyl (1-methylbutyl)allylmalonate
- Molecular formula
- C15H26O4
- Molecular weight
- 270.36454
Names & synonyms
Diethyl (1-methylbutyl)allylmalonate6285-59-2diethyl 2-pentan-2-yl-2-prop-2-enylpropanedioateMalonic acid, allyl-1-methylbutyl-, diethyl esterPropanedioic acid, 2-(1-methylbutyl)-2-(2-propen-1-yl)-, 1,3-diethyl ester22328-93-4SCHEMBL11678264VTRMVPBHEGUYBA-UHFFFAOYSA-NDTXSID201372022NSC10825EINECS 228-514-2NSC 10825
Show more names
ALLYL-1-METHYLBUTYLDIETHYL MALONATE(WXG03316)(1-Methylbutyl)-2-propenylpropanedioic acid diethyl ester
NSC-10825AKOS024337584DIETHYL ALLYL-1-(METHYLBUTYL)MALONATENS000445741,3-Diethyl 2-(1-methylbutyl)-2-(2-propen-1-yl)propanedioatePropanedioicacid,2-(1-methylbutyl)-2-(2-propen-1-yl)-,1,3-diethylester
Database identifiers
- CAS
22328-93-4、6285-59-2- PubChem CID
- 95451
- DTXSID
DTXSID201372022- EC Number
- 228-514-2
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 11
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 291
Chemistry & industry
Suppliers2 total
HONEST JOY HOLDINGS LIMITED[email protected]
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
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Compound notes
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