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
9.4148 -0.6267 -1.3257 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5156 -1.4518 -0.6418 O 0 0 0 0 0 0 0 0 0 0 0 0
7.2505 -1.0128 -0.2420 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8021 0.2724 -0.4974 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5486 0.6679 -0.0873 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7147 -0.2010 0.5834 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1791 -1.4701 0.8261 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4249 -1.8919 0.4287 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4317 0.2045 1.0029 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3921 0.0095 0.1212 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6311 -0.5094 -0.9908 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0088 0.4024 0.4701 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7329 0.9735 1.6889 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5455 1.3322 2.0029 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6190 1.1418 1.1205 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3144 0.5719 -0.0879 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0211 0.2060 -0.4107 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8858 1.5272 1.4884 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9968 1.3147 0.6823 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2739 -0.1621 0.5711 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3848 -0.3799 -0.2572 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.6376 0.0627 0.0662 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.8231 0.6790 1.1375 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.7801 -0.1829 -0.8450 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.9552 0.2594 -0.4911 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.5801 -0.9089 -2.1144 C 0 0 0 0 0 0 0 0 0 0 0 0
10.1522 -1.3114 -1.8358 H 0 0 0 0 0 0 0 0 0 0 0 0
9.9679 0.0702 -0.6325 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9406 0.0215 -2.0907 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4710 0.9602 -1.0321 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2230 1.6652 -0.2953 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5422 -2.1612 1.3480 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7630 -2.9114 0.6389 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5480 1.1343 2.3967 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7874 1.7911 2.9740 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0781 0.4112 -0.8733 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1845 -0.2454 -1.3792 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7259 1.7041 -0.3373 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9093 1.8162 1.0540 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6128 -0.4703 1.6312 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4222 -0.8004 0.3570 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.1199 0.7919 0.4326 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.8050 0.0931 -1.1386 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8743 -1.7612 -1.8974 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.5215 -1.3671 -2.4582 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.1655 -0.2582 -2.9021 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