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
-9.2365 0.8631 -1.2946 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.5509 1.2845 -0.1365 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.1826 1.0650 -0.0528 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.5030 1.4771 1.0828 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1335 1.2600 1.1721 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4291 0.6447 0.1604 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1398 0.2522 -0.9466 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.4978 0.4476 -1.0767 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0669 0.4574 0.3092 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5842 -0.6981 0.8885 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4617 -1.5496 1.2629 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1631 -0.9601 1.0756 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7491 -2.1218 1.6548 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5735 -2.4249 1.8566 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5893 -1.5230 1.4626 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1528 -0.3577 0.8817 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2029 -0.0670 0.6842 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8956 -1.8459 1.6760 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0835 -1.2482 1.4118 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3970 -1.0546 -0.0467 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6778 -0.4169 -0.1624 O 0 0 0 0 0 0 0 0 0 0 0 0
6.1824 -0.1335 -1.4021 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5150 -0.4367 -2.4194 O 0 0 0 0 0 0 0 0 0 0 0 0
7.4700 0.5079 -1.5377 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9754 0.7905 -2.7334 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2393 0.8562 -0.3257 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.7475 1.3059 -2.2100 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.1940 -0.2369 -1.4448 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.2696 1.2521 -1.2939 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0501 1.9674 1.8945 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6007 1.5844 2.0652 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5806 -0.2379 -1.7529 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0090 0.1280 -1.9516 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5021 -2.8419 1.9717 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9126 -3.3393 2.3130 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8614 0.3935 0.5693 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5263 0.8565 0.2241 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9041 -1.9351 1.8066 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1861 -0.2555 1.9343 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4234 -2.0476 -0.5650 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6800 -0.3885 -0.5149 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4508 0.5554 -3.6476 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9338 1.2681 -2.8452 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3274 0.7255 -0.4382 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9379 0.1862 0.5209 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0124 1.9191 -0.0800 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