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
9.2563 1.6165 -1.7307 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3739 2.0537 -0.7453 O 0 0 0 0 0 0 0 0 0 0 0 0
7.0470 1.6456 -0.6511 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4737 0.7626 -1.5307 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1493 0.3877 -1.3946 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3469 0.8740 -0.3832 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9360 1.7604 0.4934 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2635 2.1426 0.3653 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0260 0.4606 -0.2988 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6897 -0.6561 0.4426 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6170 -1.2615 1.0208 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2948 -1.0685 0.5144 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3169 -0.3621 -0.1438 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0315 -0.7551 -0.0782 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4475 -1.8490 0.6364 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4289 -2.5642 1.3064 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8819 -2.1701 1.2331 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7359 -2.2840 0.7499 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8675 -1.7307 0.2391 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1928 -0.4087 0.8437 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3611 0.1859 0.3181 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.5890 -0.4272 0.4403 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.7324 -1.5219 1.0154 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.7774 0.2154 -0.1189 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.9481 -0.3434 -0.0166 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.6557 1.5188 -0.8122 C 0 0 0 0 0 0 0 0 0 0 0 0
10.2993 1.8318 -1.3730 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1400 0.5287 -1.8848 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1297 2.1506 -2.7012 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1115 0.3778 -2.3326 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7551 -0.3108 -2.1185 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3205 2.1521 1.2936 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7139 2.8359 1.0559 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5631 0.5223 -0.7345 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7640 -0.1871 -0.6407 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7610 -3.4243 1.8659 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6653 -2.7349 1.7590 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7234 -1.6486 -0.8835 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7372 -2.4225 0.3429 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3602 0.2832 0.7822 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4196 -0.5913 1.9541 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.0551 -1.2982 0.4881 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.8521 0.0891 -0.4111 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7574 2.0840 -0.4816 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.6436 1.3576 -1.9108 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.5304 2.1832 -0.5568 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