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
-1.7531 3.2953 1.7773 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8547 2.3567 2.0408 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2781 0.9589 2.1687 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6430 0.1232 1.2182 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8494 -1.2158 1.1111 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7032 -1.6625 1.9835 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2959 -2.1960 0.2174 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7273 -3.5415 0.3687 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2664 -4.5368 -0.4221 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6487 -4.2134 -1.3977 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0794 -2.9244 -1.5630 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6067 -1.8722 -0.7436 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1040 -0.5545 -0.9779 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9690 -0.4471 -1.9527 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8673 0.6411 -0.3930 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4607 1.8695 -0.7621 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1682 2.2482 -2.1692 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5333 3.3779 -2.4194 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4164 4.3157 1.6880 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8074 3.0934 1.6467 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1840 2.5953 2.1643 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0984 0.6375 3.2105 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3691 0.8558 1.9946 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4434 -3.7706 1.1384 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5805 -5.5672 -0.3251 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0275 -4.9868 -2.0362 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7852 -2.7326 -2.3303 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1073 2.6375 -0.0491 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5698 1.8488 -0.6660 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4534 1.6357 -3.0142 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2407 4.0023 -1.5890 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2810 3.7287 -3.4130 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