chempirical

1,12-Dimethyl dodecanedioate

C14H26O4CAS 1731-79-9258.36 g/mol

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Ester

Properties

Molecular formula
C14H26O4
Molar mass
258.36 g/mol
Exact mass
258.1831 Da
Melting point
31.9 °C
Boiling point
17.5–17.7 °C (at 10 Torr)
logP
3.23Crippen estimate
Polar surface area
52.6 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
11

Identifiers

CAS number
1731-79-9
SMILES
COC(=O)CCCCCCCCCCC(=O)OC
InChIKey
IZMOTZDBVPMOFE-UHFFFAOYSA-N
InChI
InChI=1S/C14H26O4/c1-17-13(15)11-9-7-5-3-4-6-8-10-12-14(16)18-2/h3-12H2,1-2H3

Weigh it out

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

Names and synonyms

9 names
  • Dodecanedioic acid, 1,12-dimethyl ester
  • Dodecanedioic acid, dimethyl ester
  • Dimethyl dodecanedioate
  • Dimethyl 1,12-dodecanedioate
  • Dimethyl 1,10-decanedicarboxylate
  • 1,10-Decanedicarboxylic acid dimethyl ester
  • Dimethyl decamethylenedicarboxylate
  • DMD 2
  • NSC 118878

Work with 1,12-Dimethyl dodecanedioate

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

Dimethyl pimelate1732-08-7100 % similar Dimethyl suberate1732-09-8100 % similar Dimethyl azelate1732-10-1100 % similar Dimethyl adipate627-93-094 % similar Rhodasolv RPDE NA95481-62-289 % similar Dimethyl glutarate1119-40-089 % similar Methyl heptanoate106-73-078 % similar Methyl decanoate110-42-978 % similar

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

Same formula

Dibutyl adipate105-99-7 Diethyl sebacate110-40-7 Diisobutyl adipate141-04-8 1,3-Diethyl 2-ethyl-2-(1-methylbutyl)propanedioate76-72-2 Diethyl ethylisoamylmalonate77-24-7 Tetradecanedioic acid821-38-5

Elsewhere

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