chempirical

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

C10H18O4CAS 759-36-4202.25 g/mol

Open in Covalent MOL file
OOOO
Ester

Properties

Molecular formula
C10H18O4
Molar mass
202.25 g/mol
Exact mass
202.1205 Da
Boiling point
215 °C
logP
1.38Crippen estimate
Polar surface area
52.6 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
5

Identifiers

CAS number
759-36-4
SMILES
CCOC(=O)C(C(=O)OCC)C(C)C
InChIKey
BYQFBFWERHXONI-UHFFFAOYSA-N
InChI
InChI=1S/C10H18O4/c1-5-13-9(11)8(7(3)4)10(12)14-6-2/h7-8H,5-6H2,1-4H3

Weigh it out

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

Names and synonyms

11 names
  • Propanedioic acid, 2-(1-methylethyl)-, 1,3-diethyl ester
  • Malonic acid, isopropyl-, diethyl ester
  • Propanedioic acid, (1-methylethyl)-, diethyl ester
  • Diethyl isopropylmalonate
  • Ethyl isopropylmalonate
  • Diethyl 2-isopropylmalonate
  • Diethyl 2-(1-methylethyl)propanedioate
  • (1-Methylethyl)propanedioic acid diethyl ester
  • NSC 1007
  • Isopropylmalonic acid diethyl ester
  • 1,3-Diethyl 2-(propan-2-yl)propanedioate

Work with 1,3-Diethyl 2-(1-methylethyl)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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Ethyl 2-bromo-3-methylbutanoate609-12-162 % similar 1,3-Diethyl 2-(1-methylpropyl)propanedioate83-27-262 % similar Ethyl isobutyrate97-62-162 % similar 1,1,1-Triethyl methanetricarboxylate6279-86-360 % similar 1,3-Diethyl 2-(1-methylbutyl)propanedioate117-47-558 % similar (S)-Valine ethyl ester hydrochloride17609-47-156 % similar (±)-Valine ethyl ester hydrochloride23358-42-156 % similar Ethyl cyclopropanecarboxylate4606-07-956 % 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

PubChem CAS Common Chemistry NIST WebBook