chempirical

Dioctyl decanedioate

C26H50O4CAS 2432-87-3426.68 g/mol

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Ester

Properties

Molecular formula
C26H50O4
Molar mass
426.68 g/mol
Exact mass
426.3709 Da
logP
7.91Crippen estimate
Polar surface area
52.6 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
23

Identifiers

CAS number
2432-87-3
SMILES
CCCCCCCCOC(=O)CCCCCCCCC(=O)OCCCCCCCC
InChIKey
MIMDHDXOBDPUQW-UHFFFAOYSA-N
InChI
InChI=1S/C26H50O4/c1-3-5-7-9-15-19-23-29-25(27)21-17-13-11-12-14-18-22-26(28)30-24-20-16-10-8-6-4-2/h3-24H2,1-2H3

Weigh it out

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

Names and synonyms

9 names
  • Decanedioic acid, 1,10-dioctyl ester
  • Sebacic acid, dioctyl ester
  • Decanedioic acid, dioctyl ester
  • Dioctyl sebacate
  • Di-n-octyl sebacate
  • Witamol 500
  • NSC 16205
  • W 280
  • W 280 (Plasticizer)

Work with Dioctyl decanedioate

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

Dioctyl adipate123-79-5100 % similar Decyl decanoate1654-86-0100 % similar Stearyl stearate2778-96-3100 % similar Myristyl myristate3234-85-3100 % similar Decyl laurate36528-28-6100 % similar Dinonyl sebacate4121-16-8100 % similar Cetyl palmitate540-10-3100 % similar Hexyl hexanoate6378-65-0100 % similar

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

Same formula

Dioctyl sebacate122-62-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook