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
-3.7331 -2.9780 0.3842 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8168 -2.2411 -0.2122 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1947 -1.0248 -0.9360 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5968 0.1589 -0.4383 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1943 0.3133 -0.4154 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5812 -0.6580 -0.8593 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6440 1.5487 0.1067 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5125 2.5469 0.5750 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1125 3.7378 1.0841 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2452 3.9693 1.1389 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1257 3.0156 0.6897 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7001 1.7770 0.1605 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7278 0.8580 -0.2800 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9409 1.2719 -0.1396 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6508 -0.3765 -0.8212 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7301 -1.1851 -1.2149 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6494 -1.5139 -0.1151 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8490 -2.7788 0.2164 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7912 -2.7459 0.3820 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4616 -3.8895 0.9282 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7839 -2.5322 -0.1692 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2832 -0.8331 -0.9380 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9294 -1.1782 -2.0156 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5614 2.3199 0.5116 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7916 4.5085 1.4460 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5790 4.9213 1.5454 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1682 3.2537 0.7583 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2964 -2.1271 -1.6035 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2886 -0.7368 -2.0859 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1785 -0.7525 0.4440 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3391 -3.5928 -0.3162 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5191 -3.0564 1.0209 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