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
-9.3025 0.0902 0.8610 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.4125 -0.9685 1.1932 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.0655 -0.8040 0.8458 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.6081 0.3308 0.2087 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2672 0.4996 -0.1396 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3581 -0.4859 0.1536 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8090 -1.6166 0.7875 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.1386 -1.7888 1.1351 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0366 -0.3004 -0.1988 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0849 0.2901 0.6081 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4383 0.6890 1.7437 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6944 0.4783 0.2208 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2253 1.0725 1.0548 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5289 1.2263 0.6394 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9505 0.7903 -0.6225 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0318 0.1974 -1.4542 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2554 0.0561 -1.0193 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2447 0.9375 -1.0481 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6419 0.4953 -2.3097 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1020 0.7743 -2.5277 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9014 0.1362 -1.6026 O 0 0 0 0 0 0 0 0 0 0 0 0
6.0177 0.3047 -0.2710 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2996 1.1988 0.2801 O 0 0 0 0 0 0 0 0 0 0 0 0
6.9228 -0.4836 0.5710 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6723 -1.4099 0.0273 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9788 -0.2255 2.0154 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.8882 1.0252 1.3315 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.4020 0.1731 -0.2231 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.2996 -0.0581 1.3213 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.3456 1.0982 -0.0137 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0153 1.4265 -0.6357 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0788 -2.3903 1.0143 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.4198 -2.6901 1.6248 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1349 1.3967 2.0209 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2524 1.6875 1.2809 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3380 -0.1496 -2.4410 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0052 -0.4139 -1.6658 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0078 0.9580 -3.1059 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4443 -0.6198 -2.3302 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2886 1.8901 -2.5620 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3444 0.3834 -3.5610 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6606 -1.6324 -1.0393 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3591 -2.0213 0.6058 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8953 -0.6294 2.4913 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8439 0.8567 2.2610 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1085 -0.7769 2.4741 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