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
-5.6695 1.6793 -0.1218 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7132 1.2263 -0.9213 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2874 1.5232 -0.6161 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6371 0.2547 -0.4449 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2444 0.2681 -0.1405 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7243 1.3724 -0.0518 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5953 -1.0132 0.0307 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3868 -2.1825 -0.1154 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8604 -3.4392 0.0287 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4802 -3.5461 0.3243 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2585 -2.4237 0.4686 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7275 -1.1434 0.3229 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6225 -0.0342 0.4926 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4110 1.1870 0.4174 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9882 -0.3105 0.7983 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8955 0.7405 0.9717 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0484 1.6015 -0.2009 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2274 1.7343 -0.7789 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3957 2.2731 0.7636 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7038 1.4620 -0.3462 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9911 0.6484 -1.7817 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8425 2.0836 -1.4644 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1748 2.1405 0.2776 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4223 -2.0481 -0.3450 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4296 -4.3426 -0.0749 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9067 -4.5425 0.4406 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2953 -2.5549 0.6984 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8695 0.2795 1.2235 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6224 1.3944 1.8272 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2322 2.1692 -0.6583 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4269 2.3484 -1.6464 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0661 1.1944 -0.3649 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