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
   -2.7180    1.6265   -3.6386 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2975    1.7113   -2.3862 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8864    1.9707   -2.0535 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3195    0.9241   -1.2871 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2138   -0.3639   -1.6728 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6907   -0.5883   -2.8525 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3302   -1.5247   -1.0132 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3056   -2.7678   -1.6702 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7919   -3.9166   -1.1341 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3443   -3.8785    0.1247 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3874   -2.6951    0.7944 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8839   -1.5078    0.2385 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9939   -0.3238    1.0586 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5398   -0.4631    2.2173 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6032    0.9484    0.7971 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7605    2.0431    1.6806 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0532    1.8279    2.9579 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7130    1.8182    4.0892 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7663    1.4339   -3.8638 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9893    1.7543   -4.4305 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0088    1.5868   -1.5836 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2957    2.2118   -2.9460 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8638    2.8773   -1.3790 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1228   -2.8304   -2.6625 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7495   -4.8459   -1.6794 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7290   -4.8182    0.5339 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8389   -2.7123    1.7999 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3512    2.9364    1.1306 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8210    2.2582    1.8964 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0121    1.6784    2.9554 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2091    1.6622    5.0276 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7793    1.9670    4.1009 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