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
    4.5881    1.0943    2.1609 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6993    1.6881    1.3803 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3079    1.2441    1.3238 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9459    0.8347   -0.0063 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6109    0.3683   -0.2413 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0624    0.3867    0.7747 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2437   -0.0436   -1.5756 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2431    0.0437   -2.5705 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9431   -0.3367   -3.8561 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3049   -0.8025   -4.2097 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2757   -0.8884   -3.2485 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9784   -0.4975   -1.9118 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0662   -0.6249   -0.9749 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2087   -1.0683   -1.3738 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0469   -0.3234    0.3461 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1527   -0.4701    1.2217 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7794   -0.0474    2.5935 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8565   -0.9084    3.5834 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2434    0.2555    2.7652 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6300    1.3915    2.2331 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0873    2.5262    0.7901 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1946    0.3308    1.9434 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5732    1.9774    1.7219 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2226    0.4099   -2.2897 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7010   -0.2730   -4.6216 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4737   -1.0868   -5.2477 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2638   -1.2476   -3.4855 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9292    0.2513    0.8410 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6107   -1.4576    1.1835 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4440    0.9620    2.7902 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1902   -1.9110    3.3858 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5907   -0.6161    4.5744 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