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
9.0470 1.2440 0.6890 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8464 1.7415 1.2495 O 0 0 0 0 0 0 0 0 0 0 0 0
6.6095 1.2097 0.9547 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4757 1.7351 1.5304 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2199 1.2010 1.2358 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1018 0.1419 0.3655 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2168 -0.3818 -0.2065 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4622 0.1538 0.0905 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8034 -0.3322 0.1262 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0073 0.1479 -0.8757 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4496 1.0550 -1.6213 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6461 -0.3380 -1.1392 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0981 -1.3285 -0.3635 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1926 -1.7660 -0.6393 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9793 -1.2781 -1.6436 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3898 -0.2636 -2.4220 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1175 0.1771 -2.1610 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2386 -1.6400 -1.9802 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1542 -2.5287 -1.5026 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5997 -2.2305 -0.0906 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1747 -0.9351 -0.1216 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.7047 -0.2846 0.9551 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6790 -0.8867 2.0619 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.2652 1.0432 0.7934 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.2588 1.6111 -0.3898 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.8314 1.7152 1.9906 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0975 1.4755 -0.4057 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1364 0.1434 0.8092 H 0 0 0 0 0 0 0 0 0 0 0 0
9.8780 1.7996 1.1792 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5318 2.5708 2.2216 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3459 1.6252 1.6958 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1245 -1.2088 -0.8862 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3795 -0.2504 -0.3579 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6777 -1.7481 0.4437 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5987 -2.5607 -0.0211 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9568 0.1702 -3.2377 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3509 0.9657 -2.7599 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0485 -2.4905 -2.2047 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8231 -3.6063 -1.5918 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4293 -2.9562 0.1151 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7853 -2.3235 0.6137 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8387 1.0878 -1.2275 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6592 2.5991 -0.5853 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.4922 2.7855 1.9267 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.9375 1.6332 2.0024 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3510 1.3060 2.9003 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