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
-9.0925 1.6363 0.8912 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.4763 0.8535 -0.1185 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.1380 0.4935 -0.0518 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.6116 -0.2675 -1.0699 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2794 -0.6393 -1.0264 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4406 -0.2776 0.0055 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9915 0.4855 1.0148 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.3188 0.8680 0.9917 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1118 -0.6757 0.0031 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1390 0.1176 -0.5888 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5334 1.1945 -1.1096 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7311 -0.2521 -0.6198 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1721 0.5685 -1.2150 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5113 0.2213 -1.2470 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9814 -0.9501 -0.6873 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0449 -1.7681 -0.0880 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3109 -1.4224 -0.0525 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3293 -1.2414 -0.7511 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9433 -2.3648 -0.2413 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4215 -2.3504 -0.4928 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1002 -1.2772 0.0711 O 0 0 0 0 0 0 0 0 0 0 0 0
5.9628 0.0458 -0.2268 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1596 0.4281 -1.1037 O 0 0 0 0 0 0 0 0 0 0 0 0
6.7431 1.0977 0.4576 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5945 0.7170 1.3842 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5861 2.5276 0.1269 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.4028 2.4818 1.1409 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.0349 2.0903 0.4764 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.3140 1.0236 1.7876 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.2657 -0.5569 -1.8869 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8723 -1.2314 -1.8197 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3656 0.7941 1.8499 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7539 1.4643 1.7780 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1576 1.5100 -1.6728 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2226 0.8968 -1.7317 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3781 -2.6859 0.3563 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0223 -2.0871 0.4263 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4901 -3.2735 -0.7006 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7499 -2.4807 0.8709 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8247 -3.2956 -0.0500 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5778 -2.3456 -1.6022 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7504 -0.3130 1.6667 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1715 1.4673 1.8935 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0982 2.6253 -0.8844 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9970 3.0876 0.8961 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5541 3.0605 0.0302 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