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
-3.1066 2.6202 -2.5863 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2714 2.5393 -1.5533 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8255 2.2896 -1.7372 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3821 1.1135 -1.1034 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8965 -0.0930 -1.4325 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7963 -0.0488 -2.3487 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5884 -1.3865 -0.9170 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2745 -2.4973 -1.4385 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0533 -3.7722 -1.0163 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1079 -3.9770 -0.0278 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5675 -2.8947 0.4874 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3408 -1.5778 0.0532 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1401 -0.5762 0.7091 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0915 0.6391 0.4776 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0735 -0.9167 1.7014 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8586 0.0731 2.3443 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0325 1.0706 3.0532 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1173 2.3435 2.7069 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7033 2.4980 -3.5814 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1623 2.8022 -2.4580 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7033 2.6668 -0.5480 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2750 3.1849 -1.3253 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6169 2.2726 -2.8288 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0220 -2.3626 -2.2158 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5742 -4.6339 -1.4094 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0960 -4.9853 0.3354 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2884 -3.0761 1.2451 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5491 -0.4891 3.0005 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5349 0.5879 1.6026 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3601 0.7918 3.8474 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5201 3.1211 3.2082 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7892 2.6729 1.9034 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