Diethyl 2-(3-butenyl)malonate
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Basic information
- CAS
31696-00-1- Standard SMILES
C=CCCC(C(=O)OCC)C(=O)OCC- InChIKey
SNZFLJWANPHXKY-UHFFFAOYSA-N- Molecular formula
- C11H18O4
- Average molar mass
- 214.26 g/mol
- Monoisotopic mass
- 214.12050905
Overview
Diethyl 2-(3-butenyl)malonate is a fatty acid ester.
Names & identifiers
- Preferred name
- Diethyl 2-(3-butenyl)malonate
- IUPAC
- diethyl 2-but-3-enylpropanedioate
- English name
- DIETHYL 3-BUTENYLMALONATE
- Molecular formula
- C11H18O4
- Molecular weight
- 214.26
Names & synonyms
Diethyl 2-(3-butenyl)malonatediethyl 2-but-3-enylpropanedioateRefChem:133389Diethyl 3-butenylmalonic acid1,3-Diethyl 2-(but-3-en-1-yl)propanedioic acid31696-00-1diethyl 3-butenylmalonateDiethyl 2-(but-3-en-1-yl)malonateMFCD02258518diethyl 2-(but-3-enyl)malonatediethyl but-3-en-1-ylmalonateSCHEMBL2203256
Show more names
Diethyl 3-butyenylmalonatePropanedioic acid, 2-(3-buten-1-yl)-, 1,3-diethyl ester
CHEBI:219846diethyl (but-3-en-1-yl)malonateDiethyl 2-(3-butenyl)malonate #AKOS0175504862-but-3-enylmalonic acid diethyl ester2-But-3-enyl-malonic acid diethyl esterSY5672532-(3-Butenyl)malonic acid, diethyl ester
Database identifiers
- CAS
31696-00-1- PubChem CID
- 594682
- ChEBI
CHEBI:219846- Nikkaji
- J1.062.333B
Properties
Computed structural propertiesFilling in
- XLogP
- 2.4
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 205
Physicochemical properties
- Boiling point
- 268.3 · 268.3±33.0 °C(Predicted)
- Density
- 1.008 · 1.008±0.06 g/cm3(Predicted)
- pka
- 12.84 · 12.84±0.59(Predicted)
Related reactions
4 records
Compound notes
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