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
3.9176 4.5459 0.8066 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8652 4.2292 0.0713 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8355 3.3094 0.5909 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7106 2.1548 -0.2325 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7570 1.1627 0.0949 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1162 1.4286 1.1032 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6874 0.0342 -0.7793 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6807 -0.1394 -1.7481 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7850 -1.2187 -2.5802 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8555 -2.2208 -2.4755 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1401 -2.1032 -1.5463 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2479 -0.9903 -0.6910 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3835 -0.8749 0.1946 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5623 0.2465 0.8151 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2810 -1.7111 0.4935 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2314 -2.5448 0.8324 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2612 -2.8422 2.3259 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3091 -2.5755 3.0629 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0885 4.1689 1.7966 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6554 5.2233 0.4021 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7672 4.6600 -0.9293 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1728 2.9283 1.5738 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8777 3.8321 0.7021 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4181 0.6629 -1.8260 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5604 -1.3230 -3.3136 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8553 -3.1099 -3.0860 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8798 -2.8709 -1.4432 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2932 -2.2709 0.5613 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0989 -3.5987 0.4023 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3921 -3.2864 2.7885 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3278 -2.7842 4.1070 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1977 -2.1218 2.5973 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