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
6.0887 0.6246 0.5576 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2132 0.3351 -0.4062 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8436 0.8844 -0.3778 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8798 -0.1816 -0.3370 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5099 0.1559 -0.3055 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2758 1.3583 -0.3164 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5702 -0.9424 -0.2649 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0690 -2.2542 -0.2595 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2776 -3.3763 -0.2225 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0812 -3.2354 -0.1885 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5950 -1.9793 -0.1927 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7927 -0.8144 -0.2306 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4388 0.4712 -0.2318 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8812 1.5555 -0.2620 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8521 0.5550 -0.1955 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5033 1.8358 -0.1964 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9558 1.5140 -0.1533 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7272 1.9402 0.8572 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8022 1.2671 1.3720 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0869 0.2354 0.5538 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5031 -0.3060 -1.2165 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6736 1.6279 0.4021 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6743 1.3757 -1.3794 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1440 -2.3717 -0.2863 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6857 -4.3748 -0.2192 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7746 -4.0693 -0.1582 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6589 -1.8078 -0.1670 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2034 2.4158 0.6994 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2875 2.3882 -1.1248 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4285 0.9321 -0.9285 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7849 1.7108 0.8968 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3325 2.5304 1.6770 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