chempirical

Dibenzyl malonate

C17H16O4CAS 15014-25-2284.31 g/mol

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Ester

Properties

Molecular formula
C17H16O4
Molar mass
284.31 g/mol
Exact mass
284.1049 Da
Boiling point
234–235 °C
logP
2.86Crippen estimate
Polar surface area
52.6 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
6

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
15014-25-2
SMILES
O=C(CC(=O)OCc1ccccc1)OCc1ccccc1
InChIKey
RYFCSKVXWRJEOB-UHFFFAOYSA-N
InChI
InChI=1S/C17H16O4/c18-16(20-12-14-7-3-1-4-8-14)11-17(19)21-13-15-9-5-2-6-10-15/h1-10H,11-13H2

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Names and synonyms

5 names
  • Propanedioic acid, 1,3-bis(phenylmethyl) ester
  • Malonic acid, dibenzyl ester
  • Propanedioic acid, bis(phenylmethyl) ester
  • NSC 101027
  • 1,3-Dibenzyl propanedioate

Work with Dibenzyl malonate

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

Benzyl ethyl malonate42998-51-679 % similar Benzyl methyl malonate52267-39-779 % similar Dibenzyl succinate103-43-577 % similar Benzyl phenylacetate102-16-974 % similar 1-(Phenylmethyl) propanedioate40204-26-073 % similar Benzyl acetoacetate5396-89-473 % similar Benzyl tert-butyl malonate72594-86-672 % similar Benzyl propionate122-63-469 % similar

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

Same formula

Caffeic acid phenethyl ester104594-70-9 Flavokavain B1775-97-9 Mollugin55481-88-4 4-Benzyloxy-3-methoxycinnamic acid7152-95-6

Elsewhere

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