chempirical

Dibutyl succinate

C12H22O4CAS 141-03-7230.30 g/mol

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Ester

Properties

Molecular formula
C12H22O4
Molar mass
230.30 g/mol
Exact mass
230.1518 Da
Density
0.9768 g/mL (at 20 °C)
Melting point
−29 °C
Boiling point
274.5 °C
logP
2.45Crippen estimate
Polar surface area
52.6 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
9

Identifiers

CAS number
141-03-7
SMILES
CCCCOC(=O)CCC(=O)OCCCC
InChIKey
YUXIBTJKHLUKBD-UHFFFAOYSA-N
InChI
InChI=1S/C12H22O4/c1-3-5-9-15-11(13)7-8-12(14)16-10-6-4-2/h3-10H2,1-2H3

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

Names and synonyms

8 names
  • Butanedioic acid, 1,4-dibutyl ester
  • Succinic acid, dibutyl ester
  • Butanedioic acid, dibutyl ester
  • Succinic acid di-n-butyl ester
  • Tabatrex
  • Di-n-butyl succinate
  • Tabutrex
  • NSC 1502

Work with Dibutyl succinate

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

Dibutyl adipate105-99-787 % similar Butyl butyrate109-21-787 % similar Butyl valerate591-68-487 % similar Dibutyl sebacate109-43-383 % similar Dibutyl azelate2917-73-983 % similar Butyl hexanoate626-82-483 % similar Butyl laurate106-18-380 % similar Butyl myristate110-36-180 % 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 1,6-Hexanediol diglycidyl ether16096-31-4 Diethyl suberate2050-23-9 Diethyl isoamylmalonate5398-08-3 Dodecanedioic acid693-23-2

Elsewhere

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