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
5.8682 -1.8954 1.0078 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0579 -0.8681 1.1922 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6171 -1.0410 1.3466 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8915 -0.3423 0.3218 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4862 -0.4487 0.3852 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0104 -1.1221 1.3008 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7552 0.2518 -0.6424 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4626 0.9761 -1.6151 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8635 1.6729 -2.6293 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4891 1.6858 -2.7302 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2121 0.9880 -1.7957 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6050 0.2684 -0.7490 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4778 -0.4275 0.1736 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2006 -1.1176 1.1586 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8773 -0.3292 -0.0499 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7894 -0.9957 0.8292 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1422 -0.6925 0.3211 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0018 -0.0574 1.1101 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9252 -1.7569 0.8956 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4547 -2.8910 0.9701 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4892 0.1323 1.2282 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2360 -0.7157 2.3362 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3506 -2.1117 1.2375 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5513 0.9952 -1.5753 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4598 2.2266 -3.3696 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9513 2.2393 -3.5351 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2889 1.0147 -1.8991 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6331 -2.1010 0.7119 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6256 -0.6553 1.8608 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4256 -0.9854 -0.6813 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0088 0.1847 0.7731 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7508 0.2473 2.1117 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