chempirical

Dimethyl octadecanedioate

C20H38O4CAS 1472-93-1342.52 g/mol

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Ester

Properties

Molecular formula
C20H38O4
Molar mass
342.52 g/mol
Exact mass
342.2770 Da
logP
5.57Crippen estimate
Polar surface area
52.6 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
17

Identifiers

CAS number
1472-93-1
SMILES
COC(=O)CCCCCCCCCCCCCCCCC(=O)OC
InChIKey
ZOXMHKCFDXHCJX-UHFFFAOYSA-N
InChI
InChI=1S/C20H38O4/c1-23-19(21)17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20(22)24-2/h3-18H2,1-2H3

Weigh it out

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

Names and synonyms

5 names
  • Octadecanedioic acid, 1,18-dimethyl ester
  • Octadecanedioic acid dimethyl ester
  • Bis-methyl 1,18-octadecanedioate
  • Octadecadioic acid, dimethyl ester
  • Octadecanedioic acid, dimethyl ester

Work with Dimethyl octadecanedioate

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 sebacate106-79-6100 % similar 1,12-Dimethyl dodecanedioate1731-79-9100 % similar 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

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

Same formula

Eicosanedioic acid2424-92-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook