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
8.6511 -1.9735 3.2204 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9953 -2.3871 2.0373 O 0 0 0 0 0 0 0 0 0 0 0 0
6.6558 -2.0650 1.8565 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9802 -2.4561 0.7055 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6506 -2.1558 0.4891 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9267 -1.4460 1.4172 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5807 -1.0495 2.5657 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9228 -1.3531 2.7832 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5887 -1.1093 1.2654 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1904 0.0918 0.6617 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1499 0.8223 0.2772 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8038 0.4553 0.4973 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4331 1.6338 -0.0932 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8886 2.0069 -0.2635 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8562 1.1355 0.1903 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5335 -0.0570 0.7885 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1823 -0.3921 0.9392 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1828 1.5370 0.0058 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2074 0.6532 0.4660 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5270 1.3172 0.1489 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7187 1.5607 -1.2026 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.7484 0.6323 -2.2135 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5851 -0.5774 -1.8958 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.9583 0.9945 -3.6103 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.9770 0.0580 -4.5418 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.1494 2.4121 -3.9746 C 0 0 0 0 0 0 0 0 0 0 0 0
9.6485 -2.4693 3.3255 H 0 0 0 0 0 0 0 0 0 0 0 0
8.8527 -0.8826 3.1839 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0435 -2.1632 4.1354 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5675 -3.0219 -0.0283 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1496 -2.4790 -0.4276 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0256 -0.4876 3.3113 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4143 -1.0253 3.7028 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1850 2.3430 -0.4618 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1347 2.9468 -0.7350 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2914 -0.7178 1.1330 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1138 -1.3211 1.4045 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0624 0.5771 1.5604 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0559 -0.2965 -0.0705 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3244 0.7162 0.6277 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5031 2.3153 0.6694 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8391 -0.9856 -4.2941 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1308 0.3191 -5.5695 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.2577 2.5691 -4.0592 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7473 3.0988 -3.2011 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6682 2.6757 -4.9405 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