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
-9.4852 -0.5374 1.4814 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.7963 -0.9388 0.3114 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.4118 -0.7717 0.2824 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.7195 -0.2297 1.3608 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3565 -0.0757 1.3073 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6130 -0.4392 0.2109 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2906 -0.9793 -0.8675 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.6593 -1.1349 -0.8158 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2240 -0.2804 0.1606 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6356 0.8832 -0.3187 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4560 1.7837 -0.7044 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2180 1.1025 -0.3938 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3484 0.1342 0.0206 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0325 0.3642 -0.0594 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5193 1.5325 -0.5414 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6575 2.5143 -0.9613 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7219 2.2792 -0.8792 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8683 1.7626 -0.6218 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8541 0.8321 -0.2219 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2387 1.4016 -0.4434 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2675 0.5414 -0.0721 O 0 0 0 0 0 0 0 0 0 0 0 0
6.5307 -0.7098 -0.5735 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7485 -1.1373 -1.4824 O 0 0 0 0 0 0 0 0 0 0 0 0
7.6432 -1.5068 -0.0939 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8643 -2.7012 -0.5980 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5371 -0.9804 0.9666 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.2366 0.5339 1.7256 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.5731 -0.5724 1.3669 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.1318 -1.1249 2.3680 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.3177 0.0556 2.2258 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8459 0.3459 2.1547 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6963 -1.2660 -1.7346 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.1905 -1.5541 -1.6514 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7161 -0.8212 0.4151 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6943 -0.4157 0.2739 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0574 3.4416 -1.3438 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3489 3.0948 -1.2270 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7630 0.5979 0.8682 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7868 -0.1153 -0.7571 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3346 1.5771 -1.5473 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3496 2.3438 0.1263 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2077 -3.0718 -1.3677 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6922 -3.2946 -0.2412 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3247 -0.3316 0.5112 H 0 0 0 0 0 0 0 0 0 0 0 0
9.0183 -1.7981 1.5399 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0025 -0.3339 1.6910 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