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
-4.3747 2.0639 0.1005 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3428 0.9169 -0.5616 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2220 -0.3567 0.1740 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0597 -1.0916 -0.1830 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7808 -0.5396 0.0044 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7801 0.5940 0.4877 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6388 -1.3239 -0.3726 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9024 -2.5869 -0.9062 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1265 -3.4020 -1.2940 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4366 -3.0224 -1.1782 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6662 -1.7741 -0.6496 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6601 -0.9017 -0.2381 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0090 0.3918 0.3070 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3103 1.3021 0.7254 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3985 0.6836 0.3817 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8531 1.9213 0.8988 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3364 1.8888 0.8302 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0833 2.0036 1.9072 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4619 3.0302 -0.3812 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3127 2.0764 1.1799 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4090 0.9755 -1.6397 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1129 -0.1470 1.2676 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1273 -0.9398 0.0550 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9103 -2.9686 -1.0339 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0608 -4.4039 -1.7181 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2667 -3.6454 -1.4762 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6900 -1.4134 -0.5316 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5648 2.0044 1.9659 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4881 2.7842 0.2996 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8714 1.7676 -0.1218 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1468 1.9867 1.9123 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5881 2.1261 2.8764 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