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
-2.3941 4.7086 1.8793 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7815 3.5384 1.9550 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4418 2.2918 2.4208 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4422 1.2705 1.4414 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2371 0.7252 0.9141 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2331 1.2411 1.4085 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3455 -0.3165 -0.0881 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6376 -0.7334 -0.4865 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8210 -1.7090 -1.4250 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7482 -2.3278 -2.0229 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5071 -1.9185 -1.6316 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2794 -0.9154 -0.6668 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0903 -0.5695 -0.3370 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5263 0.2592 0.4597 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1405 -1.2607 -1.0046 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5036 -0.9805 -0.7379 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2857 -1.8856 -1.6107 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1408 -2.7835 -1.1521 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8375 5.5661 1.5289 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4536 4.8268 2.1642 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7493 3.4745 1.6678 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0088 1.9352 3.3843 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5064 2.5110 2.6261 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4806 -0.2680 -0.0367 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8078 -2.0456 -1.7468 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8817 -3.1138 -2.7790 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3551 -2.3710 -2.0690 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7225 0.0708 -1.0445 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7524 -1.1688 0.3297 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1223 -1.7782 -2.6869 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6751 -3.4085 -1.8504 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2800 -2.8652 -0.0839 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