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
-9.4615 -0.0126 1.3209 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.8046 0.4447 0.1545 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.4634 0.1181 -0.0246 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.7613 -0.6331 0.8953 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4292 -0.9428 0.6918 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7468 -0.5199 -0.4287 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4486 0.2314 -1.3490 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.7793 0.5408 -1.1457 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4037 -0.8199 -0.6554 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3727 -0.0127 -0.2234 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6788 1.0332 0.3994 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9765 -0.3495 -0.4737 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0406 0.4440 -0.0491 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3691 0.0857 -0.3094 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7150 -1.0537 -0.9874 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6417 -1.8564 -1.4156 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6659 -1.5081 -1.1625 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9753 -1.4562 -1.2669 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2222 -0.9737 -1.0051 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5264 -0.9326 0.4512 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8278 -0.4275 0.7382 O 0 0 0 0 0 0 0 0 0 0 0 0
6.2788 0.8202 0.4065 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4794 1.5928 -0.2042 O 0 0 0 0 0 0 0 0 0 0 0 0
7.6241 1.3053 0.7171 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4983 0.5442 1.3513 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0402 2.6728 0.3242 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.4497 0.4557 1.4482 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.5499 -1.1173 1.3457 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.8565 0.2768 2.2145 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.2995 -0.9704 1.7856 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8813 -1.5297 1.4109 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9274 0.5765 -2.2436 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.3383 1.1367 -1.8744 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1822 1.3646 0.4972 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1657 0.7489 0.0274 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9060 -2.7675 -1.9581 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4730 -2.1384 -1.5001 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2904 0.0559 -1.4801 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9821 -1.5676 -1.5803 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5387 -2.0061 0.7993 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8033 -0.4316 1.0973 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4904 0.8860 1.5867 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1801 -0.4566 1.6337 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5628 2.6929 -0.6490 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6829 3.1656 1.0601 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1087 3.2912 0.2117 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