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
-9.1281 1.4597 0.8337 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.4697 0.7413 -0.1738 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.1033 0.4833 -0.1821 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.3039 0.9374 0.8350 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9462 0.6642 0.7984 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3838 -0.0513 -0.2343 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2262 -0.4853 -1.2311 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.5818 -0.2343 -1.2313 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0421 -0.3630 -0.3412 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1104 0.4442 -0.9819 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5414 1.5123 -1.4833 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7000 0.0910 -1.0802 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1564 0.9342 -1.7251 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4794 0.6490 -1.8423 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0402 -0.5297 -1.3063 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1617 -1.3595 -0.6650 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1792 -1.0625 -0.5502 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3744 -0.7539 -1.4623 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1396 -1.7911 -1.0196 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2797 -1.9896 0.4535 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8503 -0.8835 1.1280 O 0 0 0 0 0 0 0 0 0 0 0 0
6.1213 -0.4253 0.8407 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8139 -0.9971 -0.0465 O 0 0 0 0 0 0 0 0 0 0 0 0
6.6957 0.7258 1.5503 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9773 1.3262 2.4770 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0619 1.1875 1.2140 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.0460 2.5434 0.6110 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.7274 1.2729 1.8514 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.2030 1.1274 0.8766 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7088 1.5136 1.6818 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2721 1.0020 1.5798 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8577 -1.0631 -2.0918 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.2240 -0.6005 -2.0508 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2206 1.8691 -2.1644 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1809 1.3170 -2.3580 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5121 -2.2934 -0.2424 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8316 -1.7430 -0.0378 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1546 -1.6928 -1.4944 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7745 -2.7952 -1.4190 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3998 -2.3163 1.0038 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0450 -2.8220 0.5937 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9891 0.9545 2.6867 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4126 2.1746 2.9935 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2016 1.1067 0.1346 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1750 2.2748 1.4952 H 0 0 0 0 0 0 0 0 0 0 0 0
8.8102 0.6085 1.7762 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