chempirical

Diethyl suberate

C12H22O4CAS 2050-23-9230.30 g/mol

Open in Covalent MOL file
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Ester

Properties

Molecular formula
C12H22O4
Molar mass
230.30 g/mol
Exact mass
230.1518 Da
Melting point
5.9 °C
Boiling point
282.6 °C
logP
2.45Crippen estimate
Polar surface area
52.6 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
9

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
2050-23-9
SMILES
CCOC(=O)CCCCCCC(=O)OCC
InChIKey
PEUGOJXLBSIJQS-UHFFFAOYSA-N
InChI
InChI=1S/C12H22O4/c1-3-15-11(13)9-7-5-6-8-10-12(14)16-4-2/h3-10H2,1-2H3

Weigh it out

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

Names and synonyms

5 names
  • Octanedioic acid, 1,8-diethyl ester
  • Suberic acid, diethyl ester
  • Octanedioic acid, diethyl ester
  • Diethyl octanedioate
  • NSC 62701

Work with Diethyl suberate

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 sebacate110-40-7100 % similar Diethyl pimelate2050-20-6100 % similar Diethyl azelate624-17-9100 % similar Diethyl adipate141-28-695 % similar Diethyl glutarate818-38-290 % similar Ethyl heptanoate106-30-983 % similar Ethyl octanoate106-32-183 % similar Ethyl dodecanoate106-33-283 % similar

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

Same formula

Dipropyl adipate106-19-4 Dimethyl sebacate106-79-6 (1R,2S,5R)-5-Methyl-2-(1-methylethyl)cyclohexyl 2,2-dihydroxyacetate111969-64-3 1,3-Diethyl 2-(1-methylbutyl)propanedioate117-47-5 Dibutyl succinate141-03-7 1,6-Hexanediol diglycidyl ether16096-31-4 Diethyl isoamylmalonate5398-08-3 Dodecanedioic acid693-23-2

Elsewhere

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