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
    5.0210    0.4969   -0.3098 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3968    1.4816   -0.9367 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9259    1.5519   -1.0118 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4048    0.4429   -0.3317 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0061    0.2178   -0.2212 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3460    1.0998   -0.7849 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5343   -0.9351    0.4873 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5071   -1.7910    1.0414 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1569   -2.9193    1.7371 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1908   -3.2147    1.8925 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1586   -2.3945    1.3608 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7744   -1.2407    0.6499 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8373   -0.4392    0.1278 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0518   -0.8444    0.3545 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8312    0.7190   -0.5939 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9536    1.4162   -1.0522 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8606    1.8717    0.0153 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1107    1.4888    0.0792 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0838    0.4130   -0.2349 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4390   -0.2943    0.1710 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9880    2.2556   -1.4065 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6096    2.4853   -0.4674 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5404    1.6590   -2.0384 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5388   -1.5526    0.9148 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8833   -3.5987    2.1760 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5128   -4.1115    2.4446 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1988   -2.6337    1.4878 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5167    0.8375   -1.8210 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5847    2.3279   -1.5963 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4721    2.5452    0.7678 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7477    1.8439    0.8780 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5799    0.8157   -0.6341 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