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
9.5693 0.3422 -0.7564 C 0 0 0 0 0 0 0 0 0 0 0 0
8.8251 0.8653 0.3199 O 0 0 0 0 0 0 0 0 0 0 0 0
7.4490 0.7585 0.2927 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6597 1.2518 1.3187 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3002 1.1272 1.2558 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6817 0.5079 0.1708 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4457 0.0175 -0.8465 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8190 0.1535 -0.7642 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2948 0.4399 0.2178 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6629 -0.6521 0.8048 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3906 -1.5435 1.2743 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2034 -0.7554 0.8712 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3641 0.1894 0.3740 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0162 0.0804 0.4429 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6059 -1.0070 1.0264 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7291 -1.9747 1.5359 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6392 -1.8535 1.4610 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9332 -1.2582 1.1670 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0657 -0.5850 0.7920 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2629 -0.4070 -0.6691 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4358 0.2931 -1.0077 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.7151 -0.0731 -0.7167 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.9038 -1.1378 -0.0842 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.8561 0.7209 -1.1110 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.7005 1.8475 -1.7778 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.2188 0.2707 -0.7660 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2639 0.7566 -1.7300 H 0 0 0 0 0 0 0 0 0 0 0 0
10.6478 0.5463 -0.5185 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4442 -0.7711 -0.8370 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1429 1.7343 2.1639 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7210 1.5268 2.0794 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9641 -0.4592 -1.6812 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4332 -0.2323 -1.5661 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7849 1.0745 -0.1010 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6633 0.8582 0.0500 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1466 -2.8581 2.0101 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3022 -2.6185 1.8640 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0467 0.4123 1.3291 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9453 -1.1836 1.1625 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4229 -1.4485 -1.0999 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3778 -0.0387 -1.1806 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7132 2.2261 -2.0584 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.5285 2.4692 -2.0905 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.9880 1.0394 -0.8985 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.5086 -0.6622 -1.3008 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.2250 0.0101 0.3277 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