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
    2.7836    2.9897    1.9453 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7241    2.7028    1.2212 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8171    1.9136   -0.0237 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0826    0.7356   -0.0028 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2241   -0.3081    0.8576 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1715   -0.0921    1.7174 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5240   -1.5551    0.9622 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9457   -2.4139    1.9941 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3703   -3.6261    2.2074 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6585   -4.0149    1.3788 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0737   -3.1858    0.3737 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4893   -1.9160    0.1311 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9779   -1.1140   -0.9334 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9478   -1.6140   -1.6237 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5807    0.1037   -1.3396 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1205    0.8488   -2.4198 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5577    1.1403   -2.2411 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0545    2.3666   -2.1839 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7470    2.6294    1.6056 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6906    3.5697    2.8541 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7587    3.0512    1.5412 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8886    1.7791   -0.2680 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4067    2.5422   -0.8674 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7558   -2.1073    2.6463 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7336   -4.2454    3.0144 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0965   -4.9878    1.5751 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8792   -3.5183   -0.2558 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8807    0.3985   -3.4055 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5672    1.8314   -2.4112 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2490    0.3121   -2.1512 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3778    3.2325   -2.2722 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1131    2.5515   -2.0522 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