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
-4.4409 -1.8744 0.2116 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3993 -0.5747 0.4513 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1628 0.3419 -0.6750 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9999 1.1255 -0.5185 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7302 0.5348 -0.3862 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7494 -0.6985 -0.4213 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5928 1.4166 -0.2298 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8261 2.8038 -0.2242 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1801 3.7270 -0.0838 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4760 3.2766 0.0580 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7095 1.9413 0.0536 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6953 0.9736 -0.0888 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0866 -0.4148 -0.0745 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3282 -1.3763 -0.1848 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4388 -0.7622 0.0756 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8163 -2.1268 0.0889 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2995 -2.1399 0.2617 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0463 -2.7051 -0.6796 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6105 -2.5923 0.9959 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3056 -2.2695 -0.7859 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5420 -0.2402 1.4702 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9986 1.0686 -0.6815 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2008 -0.1867 -1.6408 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8414 3.1598 -0.3352 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0362 4.7849 -0.0839 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2838 3.9969 0.1702 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7373 1.5755 0.1658 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3326 -2.6177 0.9625 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5048 -2.5811 -0.8503 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7731 -1.6989 1.1366 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6101 -3.1482 -1.5533 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1184 -2.7196 -0.5638 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