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
-9.5222 0.8616 -0.5697 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.8780 -0.3417 -0.2133 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.5424 -0.3012 0.1323 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.8909 -1.4686 0.4840 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5590 -1.4994 0.8387 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8045 -0.3314 0.8562 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4646 0.8255 0.5039 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.8019 0.8657 0.1466 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4663 -0.2742 1.1983 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4142 -0.5241 0.3630 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6994 -0.8356 -0.8345 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0173 -0.4525 0.7701 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6717 -0.1261 2.0489 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6441 -0.0614 2.4268 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7034 -0.3236 1.5338 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3288 -0.6514 0.2500 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0141 -0.7164 -0.1335 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9845 -0.2374 2.0029 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1604 -0.4176 1.3348 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5058 0.5239 0.2339 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7792 0.0961 -0.2799 O 0 0 0 0 0 0 0 0 0 0 0 0
6.4012 0.7667 -1.3213 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8246 1.7698 -1.8163 O 0 0 0 0 0 0 0 0 0 0 0 0
7.7027 0.3117 -1.8294 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2623 -0.7468 -1.2795 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3880 1.0206 -2.9377 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.6976 1.4199 0.3857 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.4787 0.5743 -1.0590 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.8554 1.4177 -1.2512 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.4887 -2.3780 0.4659 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0680 -2.4060 1.1084 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8839 1.7490 0.5153 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.2478 1.8214 -0.1155 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4280 0.0862 2.7832 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9348 0.2000 3.4524 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0948 -0.8830 -0.4796 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2817 -0.9744 -1.1411 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0271 -0.4086 2.0706 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2321 -1.4691 0.8983 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8012 0.5970 -0.5755 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7180 1.5410 0.6967 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7722 -1.2680 -0.4716 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2182 -1.1053 -1.6296 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0845 2.0753 -2.9066 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1079 0.5018 -3.8859 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5001 0.9756 -2.7700 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