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
-9.6580 0.8012 1.5149 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.9694 0.7518 0.2939 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.6248 0.3769 0.2014 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.8711 0.0270 1.3004 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5327 -0.3435 1.1870 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9219 -0.3685 -0.0515 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6805 -0.0177 -1.1457 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.0074 0.3493 -1.0307 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5774 -0.7385 -0.1835 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5673 0.2233 -0.1108 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8508 1.4233 0.0726 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1812 -0.1895 -0.2513 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1689 0.7444 -0.1826 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1554 0.3655 -0.3146 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5114 -0.9326 -0.5153 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4777 -1.8861 -0.5858 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8294 -1.5048 -0.4548 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7729 -1.4076 -0.6539 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0178 -0.8500 -0.6306 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4637 -0.2032 0.6465 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7550 0.3384 0.5642 O 0 0 0 0 0 0 0 0 0 0 0 0
6.9223 -0.3443 0.3062 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8606 -1.5691 0.1247 O 0 0 0 0 0 0 0 0 0 0 0 0
8.2024 0.3259 0.2429 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2859 -0.3526 -0.0036 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2705 1.7794 0.4589 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.6860 1.1312 1.3115 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.1040 1.5005 2.1814 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.5980 -0.2100 1.9762 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.3450 0.0432 2.2873 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9539 -0.6135 2.0413 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1959 -0.0384 -2.1209 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.5787 0.6214 -1.9195 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4180 1.7841 -0.0235 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9125 1.1381 -0.2673 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7564 -2.9298 -0.7473 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6160 -2.2428 -0.5101 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1927 -0.0848 -1.4405 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7850 -1.6351 -0.8647 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4514 -1.0168 1.4202 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7929 0.6250 0.9293 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2753 -1.4198 -0.1674 H 0 0 0 0 0 0 0 0 0 0 0 0
10.2321 0.1616 -0.0475 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2510 2.1799 0.0894 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4182 2.2357 -0.1222 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1732 1.9718 1.5454 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