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
3.2433 2.8809 -0.2825 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9902 2.3079 -1.4462 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4513 0.9326 -1.6975 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3822 0.0452 -1.9793 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3676 -0.1391 -0.9972 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5622 0.5303 0.0185 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2731 -1.0503 -1.2906 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2954 -1.6979 -2.5551 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7133 -2.5594 -2.8690 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7480 -2.8073 -1.9782 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7652 -2.1804 -0.7599 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7277 -1.2819 -0.4134 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8225 -0.6649 0.8906 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0556 0.1362 1.4113 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9265 -0.9835 1.7361 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0580 -0.3960 3.0277 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1647 1.0752 2.9930 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2383 1.6620 3.4813 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7860 2.3549 0.4928 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9247 3.8957 -0.0453 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4475 2.8686 -2.1874 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9634 0.5144 -0.7983 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1925 0.9605 -2.4967 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0872 -1.5007 -3.2223 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7707 -3.0942 -3.8133 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5351 -3.4810 -2.2261 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5617 -2.3495 -0.0328 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9957 -0.8035 3.4488 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1783 -0.6314 3.6655 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3639 1.6589 2.5695 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0337 1.0485 3.9049 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3076 2.7492 3.4510 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