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
-3.6789 1.9603 -2.6267 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8466 1.6644 -1.6393 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2646 0.7097 -0.6037 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4465 -0.4372 -0.4997 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0576 -0.3371 -0.1842 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7019 0.8354 -0.0248 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2782 -1.5586 -0.0944 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9171 -2.7900 -0.3243 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2903 -3.9845 -0.2681 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0519 -3.9902 0.0321 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7088 -2.8138 0.2622 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0533 -1.5650 0.2034 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8245 -0.3721 0.4615 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0775 -0.5510 0.7288 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4542 0.9261 0.4719 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2785 2.0287 0.7355 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8945 1.9985 2.0660 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6654 2.9690 2.9372 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6494 1.4885 -2.6441 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4453 2.6542 -3.4280 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8594 2.1189 -1.5855 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3312 1.2499 0.3830 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2875 0.3312 -0.7856 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9801 -2.7248 -0.5577 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8676 -4.8821 -0.4607 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5507 -4.9588 0.0755 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7684 -2.8148 0.4994 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7582 2.9760 0.5042 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1223 1.9730 -0.0135 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5396 1.1705 2.3250 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1314 2.9204 3.9071 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0230 3.8052 2.6957 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