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
3.5650 1.6158 2.6999 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3341 1.1253 2.6489 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2370 1.8036 1.9034 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7903 0.8899 0.9177 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5442 0.3684 -0.0684 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7666 0.7898 -0.0404 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2243 -0.5695 -1.1382 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2464 -0.9345 -2.0313 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9954 -1.8034 -3.0385 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7511 -2.3548 -3.2255 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2468 -2.0196 -2.3807 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0217 -1.1221 -1.3261 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1622 -0.8193 -0.4664 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1336 -0.0616 0.4846 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4070 -1.4074 -0.6950 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5277 -1.1385 0.1138 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9414 0.2554 0.1498 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9568 0.9025 1.2965 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7619 2.5512 2.1702 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3539 1.1322 3.2333 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1477 0.1987 3.1760 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6674 2.7212 1.4528 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4489 2.0306 2.6372 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2062 -0.5076 -1.8850 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7773 -2.1133 -3.7609 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5971 -3.0652 -4.0704 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2417 -2.4261 -2.4863 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3543 -1.7873 -0.2246 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2569 -1.5135 1.1419 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2377 0.7772 -0.7404 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6584 0.3997 2.2372 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2685 1.9480 1.3152 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