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
    5.4862   -1.1295   -1.7252 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8456   -1.0494   -0.5703 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3963   -1.2143   -0.4807 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7338   -0.0862    0.0416 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3185   -0.1803    0.1558 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8537   -1.2466   -0.2207 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5691    0.9213    0.6768 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2641    2.0965    1.0724 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6305    3.1934    1.5793 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7359    3.1891    1.7241 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4291    2.0725    1.3517 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7751    0.9369    0.8272 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6086   -0.1829    0.4684 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3134   -1.2875   -0.0057 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0012   -0.0490    0.6717 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8533   -1.1022    0.3398 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8554   -1.5122   -1.0645 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9621   -1.4600   -1.7861 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9554   -1.3229   -2.6618 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5609   -1.0092   -1.8069 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4266   -0.8566    0.3171 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1487   -2.0638    0.2113 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9208   -1.4183   -1.4758 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3492    2.0637    0.9429 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2143    4.0498    1.8593 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2790    4.0456    2.1250 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5026    2.0672    1.4647 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6766   -1.9741    1.0379 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8874   -0.7541    0.6193 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9529   -1.8661   -1.5387 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9749   -1.7640   -2.8364 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8663   -1.1070   -1.3134 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