chempirical

Dibenzyl succinate

C18H18O4CAS 103-43-5298.34 g/mol

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Ester

Properties

Molecular formula
C18H18O4
Molar mass
298.34 g/mol
Exact mass
298.1205 Da
Melting point
49.5 °C
Boiling point
160 °C (at 0.05 Torr)
logP
3.25Crippen estimate
Polar surface area
52.6 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
7

Identifiers

CAS number
103-43-5
SMILES
O=C(CCC(=O)OCc1ccccc1)OCc1ccccc1
InChIKey
ODBOBZHTGBGYCK-UHFFFAOYSA-N
InChI
InChI=1S/C18H18O4/c19-17(21-13-15-7-3-1-4-8-15)11-12-18(20)22-14-16-9-5-2-6-10-16/h1-10H,11-14H2

Weigh it out

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

Names and synonyms

6 names
  • Butanedioic acid, 1,4-bis(phenylmethyl) ester
  • Succinic acid, dibenzyl ester
  • Butanedioic acid, bis(phenylmethyl) ester
  • Spasmine
  • Benzyl succinate
  • NSC 4047

Work with Dibenzyl 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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Dibenzyl malonate15014-25-277 % similar Benzyl butyrate103-37-776 % similar Benzyl phenylacetate102-16-974 % similar Benzyl propionate122-63-469 % similar Phenylmethyl 2-chloroacetate140-18-169 % similar Benzyl bromoacetate5437-45-669 % similar Glycine benzyl ester monohydrochloride2462-31-965 % similar Bis(phenylmethyl) carbonate3459-92-563 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook