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
-3.9211 1.6728 -0.4969 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7329 2.0482 0.7488 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6510 1.6013 1.6369 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7482 0.6858 1.1047 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9460 -0.5771 0.6943 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1569 -0.9996 0.8265 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0186 -1.5308 0.1310 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4949 -2.8107 -0.2207 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7110 -3.7892 -0.7597 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6140 -3.4913 -0.9635 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1125 -2.2653 -0.6364 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3014 -1.2571 -0.0803 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9270 0.0086 0.2316 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3754 0.9818 0.7146 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2951 0.1515 -0.0389 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9530 1.3769 0.2508 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3783 1.3108 -0.1090 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8740 2.1452 -0.9967 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2337 0.9681 -0.9509 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7702 2.0775 -1.0586 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4534 2.7629 1.1617 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1238 1.1541 2.5536 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0842 2.5255 1.9316 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5584 -3.0264 -0.0487 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1510 -4.7493 -1.0041 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2423 -4.2650 -1.3916 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1714 -2.0378 -0.8031 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4556 2.1499 -0.3497 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8793 1.6414 1.3235 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0202 0.5612 0.3692 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2410 2.8772 -1.4618 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9149 2.0992 -1.2615 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