Diethyl ethylisoamylmalonate
Properties
- Molecular formula
- C14H26O4
- Molar mass
- 258.36 g/mol
- Exact mass
- 258.1831 Da
- Density
- 0.931 g/mL (at 20 °C)
- Melting point
- 116–118 °C
- Boiling point
- 248–253 °C
- logP
- 2.95Crippen estimate
- Polar surface area
- 52.6 Ų
- H-bond donors / acceptors
- 0 / 4
- Rotatable bonds
- 8
Identifiers
CAS number
77-24-7SMILES
CCOC(=O)C(CC)(CCC(C)C)C(=O)OCCInChIKey
BSPKCYBRFKQSDQ-UHFFFAOYSA-NInChI
InChI=1S/C14H26O4/c1-6-14(10-9-11(4)5,12(15)17-7-2)13(16)18-8-3/h11H,6-10H2,1-5H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
6 names
- Propanedioic acid, 2-ethyl-2-(3-methylbutyl)-, 1,3-diethyl ester
- Malonic acid, ethylisopentyl-, diethyl ester
- Propanedioic acid, ethyl(3-methylbutyl)-, diethyl ester
- Malonic acid, ethylisoamyl-, diethyl ester
- NSC 8721
- 1,3-Diethyl 2-ethyl-2-(3-methylbutyl)propanedioate
Work with Diethyl ethylisoamylmalonate
Predict the NMR spectrum1H and 13C shifts with multiplicities
Make a solutionWhat to weigh for any molarity and volume
Check drug-likenessLipinski, Veber and lead-likeness
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
Diethylmalonic acid diethyl ester77-25-865 % similar
Diethyl 1,1-cyclopropanedicarboxylate1559-02-056 % similar
Diethyl 1,1-cyclobutanedicarboxylate3779-29-153 % similar
1,3-Diethyl 2,2-dipropylpropanedioate6065-63-051 % similar
Diethyl dibutylmalonate596-75-849 % similar
Amobarbital57-43-248 % similar
1,3-Diethyl 2-ethyl-2-methylpropanedioate2049-70-947 % similar
Diethyl bis(2-cyanoethyl)malonate1444-05-945 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds