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
9.3705 0.9119 -1.0884 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5774 1.3003 0.0042 O 0 0 0 0 0 0 0 0 0 0 0 0
7.3063 0.7747 0.1512 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5132 1.1375 1.2081 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2278 0.6177 1.3731 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7483 -0.2741 0.4595 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5380 -0.6467 -0.6088 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8243 -0.1258 -0.7729 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4616 -0.8380 0.5636 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3602 -0.2210 -0.0297 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6010 0.8479 -0.6472 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0164 -0.7781 0.0593 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0463 -0.1430 -0.5379 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3469 -0.6475 -0.4732 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6333 -1.8037 0.1912 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5440 -2.4565 0.8037 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7270 -1.9441 0.7277 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8275 -2.3994 0.3400 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0472 -1.9612 -0.1108 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4576 -0.6866 0.5824 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7332 -0.2441 0.0890 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.3047 0.9190 0.5937 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6417 1.5237 1.4779 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.5893 1.3859 0.1129 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.2340 0.7128 -0.8109 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.1801 2.6210 0.6592 C 0 0 0 0 0 0 0 0 0 0 0 0
9.6691 -0.1689 -1.0088 H 0 0 0 0 0 0 0 0 0 0 0 0
10.2667 1.5569 -1.2006 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7946 1.0182 -2.0357 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9067 1.8439 1.9224 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5949 0.8920 2.1953 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1372 -1.3613 -1.3295 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4270 -0.4399 -1.6297 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1581 0.7829 -1.0736 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1329 -0.1206 -0.9846 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6937 -3.3861 1.3520 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5585 -2.4568 1.2041 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0990 -1.8243 -1.2236 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7996 -2.7716 0.1499 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7250 0.1172 0.5388 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6563 -0.9440 1.6773 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.8040 -0.1997 -1.2187 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.2052 1.0482 -1.1877 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.1486 2.3495 1.1600 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.3777 3.3909 -0.1245 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.5568 3.0910 1.4320 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