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
   -3.9768    2.5703   -1.2655 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6647    1.4540   -0.6419 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6813    1.4585    0.4554 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5705    0.6503    0.2142 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5684   -0.6896   -0.0102 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7603   -1.1950    0.0191 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5054   -1.6197   -0.2673 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8197   -2.9737   -0.4656 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1034   -3.9461   -0.7177 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -3.5832   -0.7831 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7723   -2.2730   -0.5950 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8188   -1.2648   -0.3339 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3050    0.0795   -0.1525 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6000    1.0555    0.0822 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6798    0.3296   -0.2439 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2211    1.6062   -0.0658 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0409    2.0591    1.3180 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4657    1.3644    2.2661 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5040    3.5187   -0.9712 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6852    2.6465   -2.0756 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1296    0.5327   -0.9340 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2138    1.1760    1.4113 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2905    2.4912    0.6682 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8573   -3.2687   -0.4162 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1589   -4.9943   -0.8694 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2118   -4.3044   -0.9795 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8232   -1.9474   -0.6404 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3199    1.5376   -0.2431 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7580    2.3090   -0.7990 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4218    3.0637    1.5731 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0481    0.3715    2.1698 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3677    1.7855    3.2935 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