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
-9.2039 -1.5034 0.9669 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.4273 -0.6061 1.7046 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.0725 -0.3958 1.4867 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.4554 -1.1153 0.4817 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1089 -0.9055 0.2659 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3664 -0.0106 1.0124 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9938 0.6919 2.0019 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.3434 0.4864 2.2235 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9986 0.1370 0.7205 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5325 1.0611 -0.1947 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4243 1.7762 -0.7620 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1359 1.2452 -0.5240 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7648 2.1876 -1.4456 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5808 2.3846 -1.7812 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5437 1.5954 -1.1528 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1617 0.6479 -0.2251 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1734 0.4843 0.0780 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8664 1.8225 -1.5139 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8478 1.0011 -0.8574 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2327 1.3468 -1.3363 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1771 0.5436 -0.6899 O 0 0 0 0 0 0 0 0 0 0 0 0
6.1869 -0.8239 -0.8048 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3167 -1.4179 -1.5231 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1820 -1.6285 -0.1161 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1649 -2.9346 -0.2460 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2063 -0.9761 0.7252 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.0285 -2.5762 1.2664 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.0384 -1.4611 -0.1178 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.2850 -1.2655 1.1262 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0250 -1.8352 -0.1280 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6405 -1.4764 -0.5243 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4103 1.3970 2.5906 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8675 1.0368 3.0096 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4696 2.8252 -1.9615 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8879 3.1243 -2.5064 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9510 0.0682 0.2271 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4000 -0.2856 0.8224 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7691 1.1062 0.2420 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5340 -0.0335 -1.0897 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4472 2.4195 -1.1950 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3043 1.1806 -2.4438 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4297 -3.4172 -0.8511 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9027 -3.5382 0.2640 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7546 -0.2631 1.4640 H 0 0 0 0 0 0 0 0 0 0 0 0
8.8116 -1.7074 1.2775 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9066 -0.4437 0.0338 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