chempirical

1,3-Diethyl 2-(1,1-dimethylethyl)propanedioate

C11H20O4CAS 759-24-0216.28 g/mol

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Ester

Properties

Molecular formula
C11H20O4
Molar mass
216.28 g/mol
Exact mass
216.1362 Da
logP
1.77Crippen estimate
Polar surface area
52.6 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
4

Identifiers

CAS number
759-24-0
SMILES
CCOC(=O)C(C(=O)OCC)C(C)(C)C
InChIKey
RJNICNBRGVKNSR-UHFFFAOYSA-N
InChI
InChI=1S/C11H20O4/c1-6-14-9(12)8(11(3,4)5)10(13)15-7-2/h8H,6-7H2,1-5H3

Weigh it out

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

Names and synonyms

11 names
  • Diethyl 2-tert-butylpropanedioate
  • Diethyl (1,1-dimethylethyl)malonate
  • Diethyl tert-butylmalonate
  • Diethyl 2-(tert-butyl)malonate
  • Diethyl t-butylmalonate
  • 1,3-Diethyl 2-tert-butylpropanedioate
  • Propanedioic acid, (1,1-dimethylethyl)-, diethyl ester
  • Diethyl tert-butylpropanedioate
  • 2-tert-Butyl-malonic acid diethyl ester
  • 2-tert-Butyl-propanedioic acid diethyl ester
  • Propanedioic acid, 2-(1,1-dimethylethyl)-, 1,3-diethyl ester

Work with 1,3-Diethyl 2-(1,1-dimethylethyl)propanedioate

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

Ethyl cyclobutanecarboxylate14924-53-955 % similar Ethyl cyclopropanecarboxylate4606-07-954 % similar Ethyl isobutyrate97-62-154 % similar Ethyl cyclohexanecarboxylate3289-28-953 % similar 1,3-Diethyl 2-ethylpropanedioate133-13-152 % similar (-)-Diethyl tartrate13811-71-752 % similar 1,3-Diethyl 2-chloropropanedioate14064-10-952 % similar Ethyl difluoroacetate454-31-952 % similar

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

Same formula

Diethyl isobutylmalonate10203-58-4 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

Elsewhere

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