chempirical

Diallyl isophthalate

C14H14O4CAS 1087-21-4246.26 g/mol

Open in Covalent MOL file
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AlkeneEster

Properties

Molecular formula
C14H14O4
Molar mass
246.26 g/mol
Exact mass
246.0892 Da
Boiling point
120–135 °C (at NaN Torr)
logP
2.37Crippen estimate
Polar surface area
52.6 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
6

Identifiers

CAS number
1087-21-4
SMILES
C=CCOC(=O)c1cccc(C(=O)OCC=C)c1
InChIKey
OOORLLSLMPBSPT-UHFFFAOYSA-N
InChI
InChI=1S/C14H14O4/c1-3-8-17-13(15)11-6-5-7-12(10-11)14(16)18-9-4-2/h3-7,10H,1-2,8-9H2

Weigh it out

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

Names and synonyms

8 names
  • 1,3-Benzenedicarboxylic acid, 1,3-di-2-propen-1-yl ester
  • Isophthalic acid, diallyl ester
  • 1,3-Benzenedicarboxylic acid, di-2-propenyl ester
  • Di-2-Propenyl isophthalate
  • DAP 100 Monomer
  • DAP Monomer 100
  • NSC 6098
  • Daiso DAP 100 monomer

Work with Diallyl isophthalate

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

Triallyl trimellitate2694-54-471 % similar 1,3-Diethyl 1,3-benzenedicarboxylate636-53-356 % similar Allyl phenylacetate1797-74-650 % similar Dimethyl isophthalate1459-93-447 % similar Ethyl m-chlorobenzoate1128-76-345 % similar Ethyl 3-methylbenzoate120-33-245 % similar Ethyl 3-bromobenzoate24398-88-745 % similar Ethyl 3-fluorobenzoate451-02-545 % similar

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

Same formula

Diallyl terephthalate1026-92-2 Diallyl phthalate131-17-9 Marmesin13849-08-6 (+)-Decursinol23458-02-8 (+)-Columbianetin3804-70-4 Nodakenetin495-32-9

Elsewhere

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