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
-3.5915 3.0839 -1.7158 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9472 2.3272 -0.8479 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5099 1.0079 -0.4905 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6415 -0.0668 -0.7976 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3516 -0.1679 -0.2230 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1081 0.7680 0.5437 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4872 -1.2775 -0.5561 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0220 -2.2152 -1.4717 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3482 -3.3245 -1.9003 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9180 -3.5122 -1.3955 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4539 -2.6170 -0.5087 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7387 -1.4692 -0.0743 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3844 -0.5843 0.8605 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8841 0.4385 1.3151 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6868 -0.8894 1.3039 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2977 -0.0190 2.2112 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4304 1.3543 1.6422 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8653 2.4081 2.2115 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5389 2.7449 -2.1742 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2088 4.0417 -1.9930 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0295 2.6970 -0.4272 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8098 0.9945 0.5966 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4393 0.7926 -1.0493 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0190 -2.0640 -1.8668 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7693 -4.0318 -2.5998 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5135 -4.3820 -1.6979 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4486 -2.7697 -0.1158 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2713 -0.3740 2.5318 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6087 0.0392 3.1046 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0229 1.4348 0.7271 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0025 3.3738 1.7451 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2948 2.2584 3.1118 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