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
2.7836 2.9897 1.9453 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7241 2.7028 1.2212 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8171 1.9136 -0.0237 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0826 0.7356 -0.0028 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2241 -0.3081 0.8576 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1715 -0.0921 1.7174 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5240 -1.5551 0.9622 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9457 -2.4139 1.9941 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3703 -3.6261 2.2074 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6585 -4.0149 1.3788 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0737 -3.1858 0.3737 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4893 -1.9160 0.1311 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9779 -1.1140 -0.9334 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9478 -1.6140 -1.6237 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5807 0.1037 -1.3396 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1205 0.8488 -2.4198 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5577 1.1403 -2.2411 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0545 2.3666 -2.1839 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7470 2.6294 1.6056 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6906 3.5697 2.8541 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7587 3.0512 1.5412 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8886 1.7791 -0.2680 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4067 2.5422 -0.8674 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7558 -2.1073 2.6463 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7336 -4.2454 3.0144 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0965 -4.9878 1.5751 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8792 -3.5183 -0.2558 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8807 0.3985 -3.4055 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5672 1.8314 -2.4112 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2490 0.3121 -2.1512 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3778 3.2325 -2.2722 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1131 2.5515 -2.0522 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