chempirical

Propylmalonic acid diethyl ester

C10H18O4CAS 2163-48-6202.25 g/mol

Open in Covalent MOL file
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Ester

Properties

Molecular formula
C10H18O4
Molar mass
202.25 g/mol
Exact mass
202.1205 Da
Density
0.9914 g/mL (at 20 °C)
Boiling point
221 °C
logP
1.53Crippen estimate
Polar surface area
52.6 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
6

Identifiers

CAS number
2163-48-6
SMILES
CCCC(C(=O)OCC)C(=O)OCC
InChIKey
GRRSDGHTSMJICM-UHFFFAOYSA-N
InChI
InChI=1S/C10H18O4/c1-4-7-8(9(11)13-5-2)10(12)14-6-3/h8H,4-7H2,1-3H3

Weigh it out

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

Names and synonyms

10 names
  • Propanedioic acid, 2-propyl-, 1,3-diethyl ester
  • Malonic acid, propyl-, diethyl ester
  • Propanedioic acid, propyl-, diethyl ester
  • Diethyl propylmalonate
  • Diethyl 2-propylmalonate
  • Diethyl n-propylmalonate
  • 2-Propylmalonic acid diethyl ester
  • NSC 53659
  • Diethyl 2-n-propylmalonate
  • 1,3-Diethyl 2-propylpropanedioate

Work with Propylmalonic acid diethyl ester

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

1,3-Diethyl 2-butylpropanedioate133-08-478 % similar Manzanate39255-32-866 % similar Diethyl isoamylmalonate5398-08-366 % similar Ethyl α-bromovalerate615-83-863 % similar 1,3-Diethyl 2-ethylpropanedioate133-13-163 % similar 1,3-Diethyl 2-(1-methylbutyl)propanedioate117-47-561 % similar 2-Acetylhexanoic acid ethyl ester1540-29-061 % similar 3-Cyano-1,1-propanedicarboxylic acid diethyl ester17216-62-559 % similar

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

Same formula

3-(1,1-Dimethylethyl)hexanedioic acid10347-88-3 Sebacic acid111-20-6 1,4-Dioxaspiro[4.5]decane-8,8-diyldimethanol1256546-72-1 Diethyl adipate141-28-6 Dimethyl suberate1732-09-8 1,3-Diethyl 2-ethyl-2-methylpropanedioate2049-70-9 Dibutyl oxalate2050-60-4 Monomethyl azelate2104-19-0

Elsewhere

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