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
-8.5533 -1.3170 1.7993 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.0990 -0.8665 0.5281 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.7526 -0.7919 0.2152 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.3455 -0.3520 -1.0229 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9811 -0.2887 -1.3062 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0580 -0.6683 -0.3406 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4542 -1.1051 0.8879 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8208 -1.1590 1.1459 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7160 -0.5704 -0.7171 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9808 0.5909 -0.5090 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5674 1.5823 0.0426 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5923 0.6889 -0.8998 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1120 1.8410 -0.6857 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4584 1.8909 -1.0816 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0820 0.8183 -1.6740 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3377 -0.3493 -1.8821 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0246 -0.3811 -1.4901 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3900 0.8140 -2.0744 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3478 1.7756 -1.9804 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8146 2.1432 -0.6172 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4133 1.1712 0.1341 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0449 -0.0156 0.6533 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8690 -0.4238 0.4585 O 0 0 0 0 0 0 0 0 0 0 0 0
6.0067 -0.7900 1.4201 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2192 -0.3476 1.6092 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5981 -2.0880 1.9860 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.3086 -2.3728 1.9493 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.6219 -1.1553 1.9421 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.9735 -0.7005 2.5466 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0954 -0.0669 -1.7435 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6934 0.0563 -2.2746 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7255 -1.3962 1.6268 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1497 -1.5038 2.1167 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3308 2.7073 -0.2253 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9822 2.8256 -0.9124 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8126 -1.2011 -2.3470 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5488 -1.3007 -1.6579 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9690 2.7207 -2.5103 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2752 1.4507 -2.5628 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6456 2.9256 -0.8018 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0714 2.7585 -0.0327 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9863 -0.8615 2.1640 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5176 0.6218 1.1842 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6238 -2.0282 2.5427 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3924 -2.7741 1.1310 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3745 -2.5078 2.6620 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