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
-9.2224 1.8874 -0.8372 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.5193 1.7592 0.3692 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.1710 1.3903 0.3347 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.5227 1.1515 -0.8573 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1755 0.7838 -0.8749 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4513 0.6477 0.2903 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1229 0.8919 1.4637 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.4461 1.2548 1.5154 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1184 0.2798 0.1939 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6834 -1.0379 0.1989 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5923 -1.9071 0.2987 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2700 -1.3959 0.0957 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8359 -2.7013 0.1004 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5282 -2.9790 -0.0012 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4705 -1.9636 -0.1081 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0322 -0.6771 -0.1119 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3124 -0.4118 -0.0115 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8235 -2.2337 -0.2090 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7537 -1.1738 -0.3163 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1327 -1.7853 -0.4090 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1498 -0.8377 -0.5199 O 0 0 0 0 0 0 0 0 0 0 0 0
6.4351 0.1453 0.3948 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7073 0.1905 1.4282 O 0 0 0 0 0 0 0 0 0 0 0 0
7.5222 1.0657 0.1545 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7968 2.0052 1.0262 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3241 0.9457 -1.0766 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.5171 0.9057 -1.2367 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.6755 2.4848 -1.6046 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.1629 2.4415 -0.6102 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0611 1.2492 -1.7912 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7011 0.6045 -1.8341 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5850 0.7940 2.3918 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.9651 1.4450 2.4503 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5713 -3.4990 0.1840 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8799 -3.9999 0.0015 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7342 0.1554 -0.1938 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6157 0.6206 -0.0184 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4856 -0.5980 -1.2228 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6500 -0.5703 0.6079 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2459 -2.4448 0.4850 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1799 -2.4548 -1.2922 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2487 2.1494 1.9497 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6160 2.7021 0.8493 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2925 -0.1119 -1.4243 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3736 1.2495 -0.9503 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9162 1.5823 -1.9110 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