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
-4.1506 -2.0814 -1.9419 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2489 -1.8312 -1.0049 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6014 -0.9992 0.1571 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8000 0.1786 0.2759 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3963 0.0448 0.4399 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9685 -1.0992 0.4690 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5713 1.2289 0.5604 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2407 2.4719 0.5023 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5549 3.6446 0.6059 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8167 3.5626 0.7693 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4725 2.3683 0.8266 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7751 1.1548 0.7209 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5329 -0.0837 0.7897 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1469 -1.2281 0.7212 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9514 0.0195 0.9645 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7546 -1.1332 1.0271 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7286 -1.8218 -0.2650 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0804 -1.4507 -1.3446 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1642 -1.7026 -1.9104 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9179 -2.6985 -2.8204 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2583 -2.2349 -1.0891 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6698 -0.7192 0.1248 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4647 -1.5484 1.1229 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3243 2.4868 0.3723 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0468 4.6193 0.5643 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3704 4.4911 0.8526 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5391 2.3478 0.9545 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4871 -1.7891 1.8831 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7830 -0.7770 1.2414 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3226 -2.7580 -0.3342 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4603 -0.5833 -1.4731 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1569 -2.0794 -2.2495 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