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
-2.9381 3.2987 -2.0309 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1014 2.1206 -1.4351 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4459 1.8867 -0.1248 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5386 0.8050 -0.1550 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8350 -0.4758 -0.4555 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0712 -0.6818 -0.7333 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9241 -1.5782 -0.4890 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4278 -2.8653 -0.8314 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6478 -3.9825 -0.8935 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6890 -3.8563 -0.6112 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1993 -2.6319 -0.2794 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3946 -1.4868 -0.2168 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0461 -0.2489 0.1453 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5989 0.8861 0.2759 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4518 -0.2835 0.4096 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1806 0.8594 0.7720 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6831 1.4334 2.0440 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5085 1.5283 3.0746 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3461 4.0773 -1.5859 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4066 3.4788 -2.9770 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6824 1.3292 -1.8514 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2308 1.7019 0.6399 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8857 2.7881 0.2244 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5037 -2.9141 -1.0486 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0950 -4.9441 -1.1630 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2866 -4.7571 -0.6673 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2633 -2.5575 -0.0597 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2284 0.5254 0.9000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2211 1.6178 -0.0395 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6630 1.7655 2.1123 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1283 1.9505 3.9973 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5376 1.2111 3.0531 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