chempirical

1,3-Diethyl 2-ethyl-2-methylpropanedioate

C10H18O4CAS 2049-70-9202.25 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
Boiling point
73–76 °C (at 5 Torr)
logP
1.53Crippen estimate
Polar surface area
52.6 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
5

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
2049-70-9
SMILES
CCOC(=O)C(C)(CC)C(=O)OCC
InChIKey
ODRGILDUWDVBJX-UHFFFAOYSA-N
InChI
InChI=1S/C10H18O4/c1-5-10(4,8(11)13-6-2)9(12)14-7-3/h5-7H2,1-4H3

Weigh it out

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

Names and synonyms

7 names
  • Propanedioic acid, 2-ethyl-2-methyl-, 1,3-diethyl ester
  • Malonic acid, ethylmethyl-, diethyl ester
  • Propanedioic acid, ethylmethyl-, diethyl ester
  • Diethyl ethylmethylmalonate
  • Diethyl 2-ethyl-2-methylmalonate
  • Diethyl methylethylmalonate
  • 2-Ethyl-2-methylmalonic acid diethyl ester

Work with 1,3-Diethyl 2-ethyl-2-methylpropanedioate

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

Diethylmalonic acid diethyl ester77-25-863 % similar Ethyl pivalate3938-95-259 % similar Ethyl 1-methylcyclopropanecarboxylate71441-76-455 % similar Diethyl cyclopropane-1,1-dicarboxylate1559-02-054 % similar 2,2-Difluoropropionic acid ethyl ester28781-85-353 % similar 1,3-Diethyl 2-bromo-2-methylpropanedioate29263-94-353 % similar Ethyl 2-bromoisobutyrate600-00-053 % similar Ethyl 2-hydroxyisobutyrate80-55-753 % 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 Dibutyl oxalate2050-60-4 Monomethyl azelate2104-19-0 Propylmalonic acid diethyl ester2163-48-6

Elsewhere

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