Monomers

Diallyl phthalate

Identifiers

IUPAC name
bis(prop-2-enyl) benzene-1,2-dicarboxylate
InchI
InChI=1S/C14H14O4/c1-3-9-17-13(15)11-7-5-6-8-12(11)14(16)18-10-4-2/h3-8H,1-2,9-10H2
InchI Key
QUDWYFHPNIMBFC-UHFFFAOYSA-N
SMILES
C=CCOC(=O)c1ccccc1C(=O)OCC=C
Canonical SMILES
C=CCOC(=O)C1=CC=CC=C1C(=O)OCC=C
Isomeric SMILES
C=CCOC(=O)C1=CC=CC=C1C(=O)OCC=C
Resources

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C14H14O4
Heavy Atom Count
18
Molecular Weight
246.262
Exact Molecular Weight
246.0892
Valence Electrons
94
Radical Electrons
0
tPSA
52.6
MolLogP
2.3722
H Bond Acceptors
4
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
1

MOL File


     RDKit          3D

 32 32  0  0  0  0  0  0  0  0999 V2000
   -5.8186    1.2885   -1.3594 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1750    0.6052   -0.4223 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7797    0.9264   -0.1034 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9235   -0.1752   -0.3189 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5489    0.0673   -0.0280 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2395    1.1914    0.3760 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5983   -1.0059   -0.2199 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0855   -2.2402   -0.6864 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2697   -3.3179   -0.9006 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0806   -3.2461   -0.6677 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5673   -2.0584   -0.2160 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7358   -0.9317    0.0113 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3670    0.2771    0.4922 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8313    1.3431    0.7463 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7701    0.2926    0.7155 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3896    1.4958    1.1928 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8422    1.2240    1.3328 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7164    1.9275    0.6496 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8589    1.0685   -1.6157 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3635    2.0949   -1.9219 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6658   -0.1935    0.1170 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4052    1.7549   -0.7654 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6369    1.2929    0.9350 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1533   -2.3074   -0.8739 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7329   -4.2314   -1.2619 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7467   -4.0959   -0.8331 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6315   -1.9454   -0.0146 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2278    2.3312    0.5094 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9942    1.7118    2.2000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1844    0.4273    2.0142 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4000    2.7072   -0.0187 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7701    1.7214    0.7590 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  2  3
 12  7  1  0
  1 19  1  0
  1 20  1  0
  2 21  1  0
  3 22  1  0
  3 23  1  0
  8 24  1  0
  9 25  1  0
 10 26  1  0
 11 27  1  0
 16 28  1  0
 16 29  1  0
 17 30  1  0
 18 31  1  0
 18 32  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers