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
9.3834 -1.2621 1.6494 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6050 -1.8658 0.6315 O 0 0 0 0 0 0 0 0 0 0 0 0
7.2584 -1.5297 0.5689 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6783 -0.6438 1.4536 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3408 -0.3158 1.3843 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5106 -0.8571 0.4250 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0811 -1.7438 -0.4642 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4188 -2.0723 -0.3953 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1730 -0.5514 0.3281 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7682 0.5140 -0.4625 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6650 1.1554 -1.0597 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3455 0.8701 -0.5898 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9408 1.9265 -1.3733 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4132 2.2372 -1.4725 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3865 1.5206 -0.8083 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9740 0.4642 -0.0256 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3771 0.1524 0.0747 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7189 1.8912 -0.9567 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7776 1.2172 -0.3167 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0599 1.9326 -0.7401 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.1960 1.3494 -0.1631 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.6214 0.0573 -0.3208 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.9191 -0.7005 -1.0671 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.8217 -0.4183 0.3382 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.5152 0.3913 1.0966 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.2539 -1.8219 0.1463 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9863 -1.5845 2.6334 H 0 0 0 0 0 0 0 0 0 0 0 0
10.4500 -1.5289 1.5170 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3227 -0.1610 1.6329 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3013 -0.1987 2.2213 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9192 0.3955 2.1101 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4422 -2.1881 -1.2366 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8529 -2.7599 -1.0877 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6869 2.5147 -1.9129 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7389 3.0708 -2.0901 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7336 -0.1057 0.5010 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7035 -0.6743 0.6869 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6208 1.3055 0.7758 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8026 0.1374 -0.5537 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9701 2.9638 -0.2931 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1061 2.0570 -1.8279 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.2056 1.4057 1.2371 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.4023 0.0419 1.5844 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.9861 -2.1411 -0.9021 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.6417 -2.4897 0.8135 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.3455 -1.9571 0.3216 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