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
4.5898 1.4394 -0.3263 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3975 0.1723 -0.6314 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1228 -0.8072 0.4333 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8725 -1.4510 0.2746 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6668 -0.7313 0.2579 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8003 0.4751 0.3904 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3936 -1.3987 0.0950 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4503 -2.8098 -0.0413 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6950 -3.5254 -0.1983 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9126 -2.8779 -0.2249 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9530 -1.5108 -0.0918 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7840 -0.7432 0.0721 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9326 0.6813 0.2018 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0725 1.5428 0.3506 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2520 1.2136 0.1567 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4476 2.6138 0.2805 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8930 2.9271 0.2046 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7998 1.9996 0.0460 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7969 2.1995 -1.0895 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5568 1.8148 0.6916 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4442 -0.1312 -1.6610 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2445 -0.3295 1.4047 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8767 -1.6316 0.2948 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4138 -3.2677 -0.0148 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6088 -4.6091 -0.2998 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7966 -3.4873 -0.3517 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9281 -1.0043 -0.1143 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0661 3.0088 1.2436 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8904 3.0938 -0.5522 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2063 3.9614 0.2836 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8574 2.2300 -0.0094 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5309 0.9427 -0.0385 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