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
-5.2626 1.8343 -0.4206 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0392 1.4997 0.8363 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7476 0.9671 1.2429 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8295 0.8669 0.1691 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5105 0.3606 0.3998 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3416 0.0589 1.5886 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6034 0.2728 -0.7162 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0482 0.6893 -1.9964 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2749 0.6474 -3.1090 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0136 0.1721 -2.9779 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4736 -0.2385 -1.7525 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6624 -0.1911 -0.6026 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2288 -0.6404 0.6317 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7422 -0.7031 1.7676 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5771 -1.0993 0.5802 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2293 -1.5668 1.7571 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5921 -1.9631 1.3754 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6515 -1.3934 1.9120 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4664 1.7037 -1.1384 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2083 2.2360 -0.7756 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8427 1.6340 1.5482 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3390 1.5651 2.0837 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8949 -0.0717 1.6298 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0577 1.0589 -2.0852 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6886 0.9833 -4.0479 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6522 0.1290 -3.8551 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4851 -0.6003 -1.7054 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2312 -0.7209 2.4634 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7012 -2.4515 2.1757 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7547 -2.7467 0.6310 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4968 -0.6172 2.6494 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6632 -1.6750 1.6406 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