Monomers
4-[2-(Methacryloyloxy)ethoxy]benzoic acid 4-methoxyphenyl ester
Identifiers
IUPAC name
(4-methoxyphenyl) 4-[2-(2-methylprop-2-enoyloxy)ethoxy]benzoate
InchI
InChI=1S/C20H20O6/c1-14(2)19(21)25-13-12-24-17-6-4-15(5-7-17)20(22)26-18-10-8-16(23-3)9-11-18/h4-11H,1,12-13H2,2-3H3
InchI Key
OIRKPCZRJHIGSG-UHFFFAOYSA-N
SMILES
COc1ccc(cc1)OC(=O)c1ccc(cc1)OCCOC(=O)C(=C)C
Canonical SMILES
CC(=C)C(=O)OCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)OC
Isomeric SMILES
CC(=C)C(=O)OCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)OC
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C20H20O6
Heavy Atom Count
26
Molecular Weight
356.374
Exact Molecular Weight
356.126
Valence Electrons
136
Radical Electrons
0
tPSA
71.06
MolLogP
3.4125
H Bond Acceptors
6
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
2
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
2
MOL File
RDKit 3D
46 47 0 0 0 0 0 0 0 0999 V2000
9.5216 1.0737 0.1172 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7825 0.3422 1.0740 O 0 0 0 0 0 0 0 0 0 0 0 0
7.4140 0.2841 0.9402 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6196 -0.4157 1.8416 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2509 -0.4688 1.7004 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5995 0.1651 0.6642 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3992 0.8617 -0.2317 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7682 0.9197 -0.0975 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2220 0.1284 0.4974 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6548 -0.8766 -0.2558 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4140 -1.7260 -0.7653 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2147 -0.9854 -0.4788 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3302 -0.0747 0.0604 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0406 -0.1749 -0.1496 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5589 -1.2000 -0.9117 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6801 -2.1116 -1.4521 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6979 -2.0076 -1.2388 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9180 -1.3412 -1.1489 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8790 -0.4432 -0.6264 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2276 -0.9205 -1.0948 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.2687 -0.1012 -0.6365 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.5734 0.1304 0.6938 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8642 -0.4370 1.5706 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.6706 0.9959 1.0958 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.9405 1.2006 2.3592 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.4859 1.6486 0.0490 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2804 2.1725 0.1821 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2823 0.7014 -0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0
10.5972 1.0008 0.3785 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0975 -0.9287 2.6722 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6138 -1.0138 2.3994 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9328 1.3663 -1.0480 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3912 1.4737 -0.8120 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7053 0.7279 0.6540 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7507 0.5286 0.2641 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0291 -2.9265 -2.0514 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3645 -2.7479 -1.6824 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8237 -0.5554 0.4733 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6650 0.6033 -0.8927 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2961 -0.9600 -2.2037 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3625 -1.9478 -0.6793 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.3435 0.7228 3.1138 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.7469 1.8366 2.6702 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.7600 2.0294 -0.7194 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.2176 0.9407 -0.3917 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.0515 2.5100 0.4651 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 2 0
4 5 1 0
5 6 2 0
6 7 1 0
7 8 2 0
6 9 1 0
9 10 1 0
10 11 2 0
10 12 1 0
12 13 2 0
13 14 1 0
14 15 2 0
15 16 1 0
16 17 2 0
15 18 1 0
18 19 1 0
19 20 1 0
20 21 1 0
21 22 1 0
22 23 2 0
22 24 1 0
24 25 2 3
24 26 1 0
8 3 1 0
17 12 1 0
1 27 1 0
1 28 1 0
1 29 1 0
4 30 1 0
5 31 1 0
7 32 1 0
8 33 1 0
13 34 1 0
14 35 1 0
16 36 1 0
17 37 1 0
19 38 1 0
19 39 1 0
20 40 1 0
20 41 1 0
25 42 1 0
25 43 1 0
26 44 1 0
26 45 1 0
26 46 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers