chempirical

Diethyl sebacate

C14H26O4CAS 110-40-7258.36 g/mol

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Ester

Properties

Molecular formula
C14H26O4
Molar mass
258.36 g/mol
Exact mass
258.1831 Da
Melting point
5 °C
Boiling point
305 °C
logP
3.23Crippen estimate
Polar surface area
52.6 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
11

Identifiers

CAS number
110-40-7
SMILES
CCOC(=O)CCCCCCCCC(=O)OCC
InChIKey
ONKUXPIBXRRIDU-UHFFFAOYSA-N
InChI
InChI=1S/C14H26O4/c1-3-17-13(15)11-9-7-5-6-8-10-12-14(16)18-4-2/h3-12H2,1-2H3

Weigh it out

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

Names and synonyms

10 names
  • Decanedioic acid, 1,10-diethyl ester
  • Sebacic acid, diethyl ester
  • Decanedioic acid, diethyl ester
  • Bisoflex DES
  • Diethyl decanedioate
  • Diethyl 1,10-decanedioate
  • Ethyl sebacate
  • SDE
  • NSC 8911
  • Nikkol DES-SP

Work with Diethyl 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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Diethyl pimelate2050-20-6100 % similar Diethyl suberate2050-23-9100 % similar Diethyl azelate624-17-9100 % similar Diethyl glutarate818-38-290 % similar Ethyl heptanoate106-30-983 % similar Ethyl octanoate106-32-183 % similar Ethyl dodecanoate106-33-283 % similar Ethyl decanoate110-38-383 % similar

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

Same formula

Dibutyl adipate105-99-7 Diisobutyl adipate141-04-8 1,12-Dimethyl dodecanedioate1731-79-9 1,3-Diethyl 2-ethyl-2-(1-methylbutyl)propanedioate76-72-2 Diethyl ethylisoamylmalonate77-24-7 Tetradecanedioic acid821-38-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook