chempirical

Diethyl isobutylmalonate

C11H20O4CAS 10203-58-4216.28 g/mol

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Ester

Properties

Molecular formula
C11H20O4
Molar mass
216.28 g/mol
Exact mass
216.1362 Da
Boiling point
95–98 °C (at 7 Torr)
logP
1.77Crippen estimate
Polar surface area
52.6 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
6

Identifiers

CAS number
10203-58-4
SMILES
CCOC(=O)C(CC(C)C)C(=O)OCC
InChIKey
OFRFGNSZCYDFOH-UHFFFAOYSA-N
InChI
InChI=1S/C11H20O4/c1-5-14-10(12)9(7-8(3)4)11(13)15-6-2/h8-9H,5-7H2,1-4H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

9 names
  • Propanedioic acid, 2-(2-methylpropyl)-, 1,3-diethyl ester
  • Malonic acid, isobutyl-, diethyl ester
  • Propanedioic acid, (2-methylpropyl)-, diethyl ester
  • Ethyl 2-ethoxycarbonyl-4-methylvalerate
  • (2-Methylpropyl)propanedioic acid diethyl ester
  • NSC 68522
  • 2-Isobutylmalonic acid diethyl ester
  • Diethyl 2-isobutylmalonate
  • 1,3-Diethyl 2-(2-methylpropyl)propanedioate

Work with Diethyl isobutylmalonate

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Diethyl isoamylmalonate5398-08-371 % similar Ethyl isobutyrate97-62-165 % similar 1,3-Diethyl 2-ethylpropanedioate133-13-163 % similar Leucine ethyl ester hydrochloride2743-40-061 % similar Propylmalonic acid diethyl ester2163-48-659 % similar Diethyl succinylsuccinate787-07-559 % similar 1,3-Dimethyl 2-(2-methylpropyl)propanedioate39520-24-657 % similar Triethyl 1,1,2-ethanetricarboxylate7459-46-357 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

1,3-Diethyl 2-butylpropanedioate133-08-4 Dimethyl azelate1732-10-1 Neopentyl glycol diglycidyl ether17557-23-2 Undecanedioic acid1852-04-6 Diethyl pimelate2050-20-6 1,3-Bis(1,1-dimethylethyl) propanedioate541-16-2 Butyl butyryllactate7492-70-8 Diethylmalonic acid diethyl ester77-25-8

Elsewhere

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