chempirical

Diethyl allylmalonate

C10H16O4CAS 2049-80-1200.23 g/mol

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AlkeneEster

Properties

Molecular formula
C10H16O4
Molar mass
200.23 g/mol
Exact mass
200.1049 Da
Density
1.0092 g/mL (at 20 °C)
Boiling point
222.5 °C
logP
1.30Crippen estimate
Polar surface area
52.6 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
6

Hazards

Warning
Irritant (GHS07)

Aggregated from 41 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
2049-80-1
SMILES
C=CCC(C(=O)OCC)C(=O)OCC
InChIKey
GDWAYKGILJJNBB-UHFFFAOYSA-N
InChI
InChI=1S/C10H16O4/c1-4-7-8(9(11)13-5-2)10(12)14-6-3/h4,8H,1,5-7H2,2-3H3

Weigh it out

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

Names and synonyms

15 names · show all
  • Propanedioic acid, 2-(2-propen-1-yl)-, 1,3-diethyl ester
  • Malonic acid, allyl-, diethyl ester
  • Propanedioic acid, 2-propenyl-, diethyl ester
  • Ethyl allylmalonate
  • Diethyl 2-allylmalonate
  • Diethyl 2-prop-2-enylmalonate
  • Diethyl 2-allyl-1,3-propanedioate
  • Allylmalonic acid diethyl ester
  • Diethyl 2-propenylmalonate
  • 2-Allylmalonic acid diethyl ester
  • NSC 67393
  • NSC 8777
  • (2-Propenyl)propanedioic acid diethyl ester
  • Diethyl 1-butene-4,4-dicarboxylate
  • 1,3-Diethyl 2-(prop-2-en-1-yl)propanedioate

Work with Diethyl allylmalonate

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-methyl-4-pentenoate53399-81-869 % similar Dimethyl allylmalonate40637-56-761 % similar 1,3-Diethyl 2-ethylpropanedioate133-13-157 % similar Ethyl isobutyrate97-62-153 % similar Diethyl isobutylmalonate10203-58-453 % similar Ethyl cyclopent-3-enecarboxylate21622-01-553 % similar Propylmalonic acid diethyl ester2163-48-653 % similar Diethyl succinylsuccinate787-07-553 % similar

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

Same formula

4-(2-Oxiranylmethoxy)butyl 2-propenoate119692-59-0 d-Camphoric acid124-83-4 3,3,6,6-Tetramethoxycyclohexa-1,4-diene15791-03-4 1,4-Cyclohexanedione bis(ethylene ketal)183-97-1 1,4-Dipropyl (2Z)-2-butenedioate2432-63-5 Ethyl 4-acetyl-5-oxohexanoate2832-10-2 1,4-Dimethyl trans-1,4-cyclohexanedicarboxylate3399-22-2 Diethyl 1,1-cyclobutanedicarboxylate3779-29-1

Elsewhere

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