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
3.3105 2.8612 -1.1514 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7169 1.6390 -0.8830 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6334 1.0871 0.4804 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8216 -0.0742 0.5459 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4696 -0.0258 0.1747 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0753 1.0648 -0.1943 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7053 -1.2394 0.2653 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3655 -2.4033 0.7244 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7377 -3.6078 0.8491 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5955 -3.6686 0.5076 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2482 -2.5670 0.0657 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6243 -1.3283 -0.0684 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4178 -0.1966 -0.5551 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0379 0.9556 -0.7315 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7777 -0.4107 -0.8689 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6054 0.6162 -1.3285 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8579 1.7107 -0.3963 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4146 1.8586 0.8305 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8982 3.4921 -0.3478 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3478 3.3174 -2.1308 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1186 1.0310 -1.6775 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6491 0.7443 0.7567 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3299 1.8288 1.2296 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4288 -2.3668 0.9997 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2008 -4.5189 1.1941 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1311 -4.6367 0.5996 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2888 -2.6243 -0.1985 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2688 0.9881 -2.3417 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5915 0.1414 -1.5481 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5086 2.5249 -0.7700 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6511 2.7081 1.4564 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7897 1.0991 1.2659 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