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