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
-5.5012 1.7697 0.0397 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6413 1.1195 0.7975 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1991 1.3216 0.5848 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5407 0.1216 0.2485 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1383 0.2236 0.0245 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6476 1.3517 0.1485 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4057 -0.9731 -0.3240 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1409 -2.1581 -0.4182 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5524 -3.3442 -0.7412 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8021 -3.3650 -0.9790 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5399 -2.2231 -0.8933 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9294 -0.9930 -0.5582 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7868 0.1714 -0.4876 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4626 1.3237 -0.2138 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1628 0.0100 -0.7576 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0557 1.0965 -0.6936 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1823 1.5794 0.6866 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5595 1.0542 1.6982 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1627 2.4421 -0.7274 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5537 1.6278 0.1884 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0181 0.4324 1.5810 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7369 1.6588 1.5590 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0092 2.0467 -0.2263 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2165 -2.1670 -0.2341 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1480 -4.2737 -0.8119 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2599 -4.3363 -1.2394 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5848 -2.2363 -1.0761 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7750 1.9081 -1.4052 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0429 0.6740 -1.0095 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8520 2.4395 0.8449 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7123 1.4852 2.7091 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9042 0.2124 1.6856 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