chempirical

1,1′-(Oxydi-2,1-ethanediyl) dioctadecanoate

C40H78O5CAS 109-30-8639.06 g/mol

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Properties

Molecular formula
C40H78O5
Molar mass
639.06 g/mol
Exact mass
638.5849 Da
logP
12.61Crippen estimate
Polar surface area
61.8 Ų
H-bond donors / acceptors
0 / 5
Rotatable bonds
38

Identifiers

CAS number
109-30-8
SMILES
CCCCCCCCCCCCCCCCCC(=O)OCCOCCOC(=O)CCCCCCCCCCCCCCCCC
InChIKey
YKDMBTQVKVEMSA-UHFFFAOYSA-N
InChI
InChI=1S/C40H78O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-39(41)44-37-35-43-36-38-45-40(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-38H2,1-2H3

Weigh it out

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

Names and synonyms

6 names
  • Octadecanoic acid, 1,1′-(oxydi-2,1-ethanediyl) ester
  • Stearic acid, oxydiethylene ester
  • Octadecanoic acid, oxydi-2,1-ethanediyl ester
  • Diethylene glycol, distearate
  • Oxydiethylene stearate
  • Witconol CAD

Work with 1,1′-(Oxydi-2,1-ethanediyl) dioctadecanoate

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

Glycol distearate627-83-888 % similar Bis(2-butoxyethyl) adipate141-18-486 % similar Butyl laurate106-18-379 % similar Butyl myristate110-36-179 % similar Butyl palmitate111-06-879 % similar Dioctyl adipate123-79-579 % similar Butyl stearate123-95-579 % similar Decyl decanoate1654-86-079 % similar

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

Elsewhere

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