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
-9.4630 -0.7447 1.4935 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.6231 0.3646 1.5811 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.2731 0.3367 1.3057 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.5281 1.4909 1.4225 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1736 1.5505 1.1664 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5112 0.3901 0.7677 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2519 -0.7675 0.6493 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.6058 -0.8078 0.9098 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1476 0.4490 0.5096 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6331 0.7363 -0.7457 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4664 0.9466 -1.6637 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2043 0.7984 -1.0183 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7496 1.0885 -2.2860 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5797 1.1610 -2.6065 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5556 0.9354 -1.6240 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1278 0.6467 -0.3569 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2389 0.5802 -0.0651 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8476 1.0162 -1.9651 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9933 0.8154 -1.2494 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2576 -0.5639 -0.7531 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4519 -0.6332 -0.0313 O 0 0 0 0 0 0 0 0 0 0 0 0
6.7073 -0.3645 -0.5211 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8345 -0.0238 -1.7312 O 0 0 0 0 0 0 0 0 0 0 0 0
7.8650 -0.4726 0.3452 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0596 -0.2123 -0.1379 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6928 -0.8707 1.7498 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.2907 -1.3779 2.3808 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.5179 -0.3648 1.5184 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.2529 -1.2882 0.5456 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0495 2.3889 1.7328 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5919 2.4487 1.2569 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7410 -1.6624 0.3418 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.1985 -1.7032 0.8221 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4763 1.2685 -3.0701 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9422 1.3893 -3.6044 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8496 0.4934 0.4334 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5341 0.3484 0.9481 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1242 1.5430 -0.3944 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8556 1.0865 -1.9341 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4047 -0.9525 -0.1899 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3514 -1.2486 -1.6486 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1952 0.0831 -1.1769 H 0 0 0 0 0 0 0 0 0 0 0 0
9.9526 -0.2872 0.4990 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6089 -0.8419 2.3376 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9829 -0.1479 2.2152 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2824 -1.9087 1.8416 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