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
9.6544 0.7029 -0.7454 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6335 0.4194 -1.6773 O 0 0 0 0 0 0 0 0 0 0 0 0
7.3189 0.1816 -1.2957 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3659 -0.0899 -2.2513 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0416 -0.3315 -1.8919 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7049 -0.2925 -0.5516 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6334 -0.0246 0.4217 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9439 0.2113 0.0265 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4010 -0.5318 -0.2141 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5174 0.5286 -0.1426 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9510 1.6780 -0.3924 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1122 0.3746 0.2078 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2644 1.4604 0.2675 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0719 1.3012 0.6023 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6065 0.0619 0.8875 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7620 -1.0249 0.8286 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5671 -0.8642 0.4953 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9541 -0.0480 1.2186 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5801 -1.2587 1.5216 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0487 -0.9691 1.8297 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6566 -0.3748 0.7021 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.9824 -0.0164 0.7233 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.6354 -0.2387 1.7886 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.6384 0.5978 -0.4215 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.9231 0.8113 -1.5091 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.0661 0.9795 -0.3878 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6081 0.7607 -1.3336 H 0 0 0 0 0 0 0 0 0 0 0 0
9.6827 -0.1788 -0.0443 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5004 1.6476 -0.2142 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6831 -0.1090 -3.2946 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3166 -0.5418 -2.6655 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3328 -0.0014 1.4734 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6548 0.4186 0.7979 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6827 2.4441 0.0426 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7352 2.1646 0.6473 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1837 -2.0010 1.0534 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2408 -1.7170 0.4466 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4660 -2.0487 0.7806 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1511 -1.6374 2.4822 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1374 -0.2731 2.6817 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5730 -1.9128 2.1370 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8795 0.5485 -1.5767 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.3462 1.2677 -2.4068 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.4491 0.9297 0.6701 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.2555 2.0032 -0.7579 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.7094 0.2796 -0.9600 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