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
4.3425 2.0285 0.2321 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3482 0.7542 0.5933 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8328 0.2996 1.8875 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7600 -0.6234 1.7903 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5693 -0.2478 1.1468 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5659 0.8965 0.7075 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4669 -1.1736 1.0389 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6774 -2.4493 1.6037 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2652 -3.4423 1.5832 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4624 -3.1666 0.9822 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7230 -1.9567 0.4214 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7382 -0.9474 0.4533 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0562 0.3258 -0.1510 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3552 1.3415 -0.2344 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3325 0.5047 -0.7502 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6836 1.7449 -1.3562 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0657 1.5602 -1.8651 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3777 1.6803 -3.1344 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9382 2.7512 0.9309 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7124 2.3952 -0.7086 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7683 0.0528 -0.1471 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4146 1.1891 2.4215 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6341 -0.0895 2.5173 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6156 -2.6823 2.0809 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0735 -4.4169 2.0275 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2517 -3.9180 0.9351 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6934 -1.7489 -0.0599 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6217 2.5915 -0.6580 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0400 1.9746 -2.2214 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8384 1.3168 -1.1503 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4075 1.5329 -3.4440 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6604 1.9225 -3.9143 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