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
-9.5051 -0.0804 -0.9699 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.7871 -0.9318 -0.0987 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.4668 -0.6191 0.1857 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.8486 0.4855 -0.3533 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5399 0.7833 -0.0629 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8006 -0.0149 0.7792 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3946 -1.1198 1.3277 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.7204 -1.4139 1.0281 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4721 0.3295 1.0445 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4270 -0.1434 0.2532 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7452 -0.8892 -0.7022 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0422 0.2124 0.5254 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0449 -0.2796 -0.2844 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2877 0.0513 -0.0379 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6379 0.8697 1.0110 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5884 1.3500 1.8125 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7226 1.0333 1.5815 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8977 1.2533 1.3424 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1335 0.9923 0.8306 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6278 -0.4074 0.8209 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9190 -0.4425 0.2493 O 0 0 0 0 0 0 0 0 0 0 0 0
6.2656 -0.0869 -1.0206 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3778 0.3164 -1.8009 O 0 0 0 0 0 0 0 0 0 0 0 0
7.6502 -0.1562 -1.5213 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9361 0.1992 -2.7598 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6994 -0.6316 -0.6031 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.0355 -0.1035 -1.9925 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.5474 -0.4256 -1.1009 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.4381 0.9493 -0.5803 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.4114 1.1293 -1.0197 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0785 1.6475 -0.4931 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8438 -1.7746 1.9972 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.2083 -2.2820 1.4510 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2578 -0.9332 -1.1315 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0822 -0.3189 -0.6695 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8203 1.9946 2.6445 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4886 1.4341 2.2341 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8807 1.5693 1.4672 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2726 1.4826 -0.1800 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7696 -0.7157 1.9078 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9602 -1.1722 0.4147 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1629 0.5499 -3.4375 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9615 0.1323 -3.0829 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9486 0.1628 0.1568 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5982 -0.9699 -1.1549 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3484 -1.5011 -0.0074 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