Diethyl diallylmalonate

C13H20O4CAS 3195-24-2240.30 g/mol

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AlkeneEster

Properties

Molecular formula
C13H20O4
Molar mass
240.30 g/mol
Exact mass
240.1362 Da
Boiling point
243.5 °C
logP
2.25Crippen estimate
Polar surface area
52.6 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
8

Hazards

Warning
Irritant (GHS07)

Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
3195-24-2
SMILES
C=CCC(CC=C)(C(=O)OCC)C(=O)OCC
InChIKey
LYUUVYQGUMRKOV-UHFFFAOYSA-N
InChI
InChI=1S/C13H20O4/c1-5-9-13(10-6-2,11(14)16-7-3)12(15)17-8-4/h5-6H,1-2,7-10H2,3-4H3

Weigh it out

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

Names and synonyms

10 names
  • Propanedioic acid, 2,2-di-2-propen-1-yl-, 1,3-diethyl ester
  • Malonic acid, diallyl-, diethyl ester
  • Propanedioic acid, di-2-propenyl-, diethyl ester
  • Diethyl 2,2-diallylmalonate
  • Diethyl diallylpropanedioate
  • Di-2-propenylpropanedioic acid diethyl ester
  • NSC 30683
  • NSC 46842
  • 2,2-(Diallyl)malonic acid diethyl ester
  • Diethyl-2-allyl-2-butenylmalonate

Work with Diethyl diallylmalonate

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

Ethyl 2,2-difluoropent-4-enoate110482-96-767 % similar Diethyl cyclopropane-1,1-dicarboxylate1559-02-059 % similar Diethylmalonic acid diethyl ester77-25-857 % similar Diethyl 1,1-cyclobutanedicarboxylate3779-29-155 % similar Diethyl bis(hydroxymethyl)malonate20605-01-053 % similar 1,3-Diethyl 2,2-dipropylpropanedioate6065-63-053 % similar Ethyl 1-acetylcyclopropanecarboxylate32933-03-250 % similar Diethyl dibutylmalonate596-75-850 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Neopentyl glycol dimethacrylate1985-51-9 Norprostol40098-26-8 Triethylene glycol monobenzyl ether55489-58-2

Elsewhere

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