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
-3.9768 2.5703 -1.2655 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6647 1.4540 -0.6419 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6813 1.4585 0.4554 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5705 0.6503 0.2142 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5684 -0.6896 -0.0102 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7603 -1.1950 0.0191 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5054 -1.6197 -0.2673 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8197 -2.9737 -0.4656 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1034 -3.9461 -0.7177 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4289 -3.5832 -0.7831 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7723 -2.2730 -0.5950 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8188 -1.2648 -0.3339 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3050 0.0795 -0.1525 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6000 1.0555 0.0822 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6798 0.3296 -0.2439 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2211 1.6062 -0.0658 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0409 2.0591 1.3180 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4657 1.3644 2.2661 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5040 3.5187 -0.9712 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6852 2.6465 -2.0756 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1296 0.5327 -0.9340 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2138 1.1760 1.4113 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2905 2.4912 0.6682 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8573 -3.2687 -0.4162 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1589 -4.9943 -0.8694 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2118 -4.3044 -0.9795 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8232 -1.9474 -0.6404 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3199 1.5376 -0.2431 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7580 2.3090 -0.7990 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4218 3.0637 1.5731 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0481 0.3715 2.1698 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3677 1.7855 3.2935 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