chempirical

Dinonyl sebacate

C28H54O4CAS 4121-16-8454.74 g/mol

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Ester

Properties

Molecular formula
C28H54O4
Molar mass
454.74 g/mol
Exact mass
454.4022 Da
Boiling point
215–218 °C (at 0.15 Torr)
logP
8.69Crippen estimate
Polar surface area
52.6 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
25

Identifiers

CAS number
4121-16-8
SMILES
CCCCCCCCCOC(=O)CCCCCCCCC(=O)OCCCCCCCCC
InChIKey
VNTXONBESJNLBI-UHFFFAOYSA-N
InChI
InChI=1S/C28H54O4/c1-3-5-7-9-13-17-21-25-31-27(29)23-19-15-11-12-16-20-24-28(30)32-26-22-18-14-10-8-6-4-2/h3-26H2,1-2H3

Weigh it out

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

Names and synonyms

5 names
  • Decanedioic acid, 1,10-dinonyl ester
  • Sebacic acid, dinonyl ester
  • Decanedioic acid, dinonyl ester
  • Bisoflex DNS
  • Di-n-Nonyl sebacate

Work with Dinonyl sebacate

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 Dioctyl decanedioate2432-87-3100 % similar Stearyl stearate2778-96-3100 % similar Myristyl myristate3234-85-3100 % similar Decyl laurate36528-28-6100 % similar Cetyl palmitate540-10-3100 % similar Hexyl hexanoate6378-65-0100 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook