Diallyl terephthalate

C14H14O4CAS 1026-92-2246.26 g/mol

Open in Covalent MOL file
OOOO
AlkeneEster

Properties

Molecular formula
C14H14O4
Molar mass
246.26 g/mol
Exact mass
246.0892 Da
Boiling point
166–184 °C (at 1 Torr)
logP
2.37Crippen estimate
Polar surface area
52.6 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
6

Hazards

Warning
Irritant (GHS07)

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

Precautionary statements

P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, P501

Identifiers

CAS number
1026-92-2
SMILES
C=CCOC(=O)c1ccc(C(=O)OCC=C)cc1
InChIKey
ZDNFTNPFYCKVTB-UHFFFAOYSA-N
InChI
InChI=1S/C14H14O4/c1-3-9-17-13(15)11-5-7-12(8-6-11)14(16)18-10-4-2/h3-8H,1-2,9-10H2

Weigh it out

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

Names and synonyms

5 names
  • 1,4-Benzenedicarboxylic acid, 1,4-di-2-propen-1-yl ester
  • Terephthalic acid, diallyl ester
  • 1,4-Benzenedicarboxylic acid, di-2-propenyl ester
  • DAPren Monomer
  • NSC 5463

Work with Diallyl terephthalate

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 trimellitate2694-54-474 % similar Allyl phenylacetate1797-74-651 % similar Diethyl terephthalate636-09-950 % similar Bis(2-hydroxyethyl) terephthalate959-26-247 % similar Diallyl dicarbonate115491-93-547 % similar Diallyl maleate999-21-347 % similar Diethyl 4,4'-biphenyldicarboxylate47230-38-645 % similar Allyl chloroformate2937-50-045 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Diallyl isophthalate1087-21-4 Diallyl phthalate131-17-9 Marmesin13849-08-6 (+)-Decursinol23458-02-8 (+)-Columbianetin3804-70-4 Nodakenetin495-32-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook