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
8.3970 1.0876 -2.4615 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1326 0.6259 -1.1489 O 0 0 0 0 0 0 0 0 0 0 0 0
6.8119 0.6066 -0.7044 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4919 0.1676 0.5640 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1914 0.1394 1.0267 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1469 0.5549 0.2275 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4598 0.9949 -1.0416 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7617 1.0216 -1.5005 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8314 0.5286 0.6893 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0674 -0.6007 0.4958 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5484 -1.5917 -0.0877 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7027 -0.6264 0.9756 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1503 0.4613 1.6248 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1395 0.4537 2.0844 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9745 -0.6759 1.9154 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3990 -1.7359 1.2710 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0806 -1.7418 0.7948 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2516 -0.6373 2.3943 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2032 -1.6230 2.2759 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6166 -1.8216 0.8448 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1529 -0.5531 0.4256 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.6262 -0.4053 -0.8594 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5688 -1.4005 -1.6240 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.1846 0.8442 -1.3627 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.6235 0.9492 -2.5844 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.2402 2.0025 -0.4391 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7265 0.6000 -3.1939 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1280 2.1833 -2.4556 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4704 0.9478 -2.6999 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2918 -0.1695 1.2267 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9570 -0.2147 2.0427 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6211 1.3214 -1.6643 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9661 1.3799 -2.5189 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7939 1.3264 1.7527 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5789 1.3008 2.5933 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9675 -2.6503 1.1350 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3303 -2.6055 0.2893 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7814 -2.5896 2.6949 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1126 -1.4352 2.9141 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4075 -2.6037 0.7729 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8401 -2.0728 0.1346 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5721 0.0872 -3.2416 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0341 1.8902 -2.9338 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3103 1.6260 0.6027 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0659 2.6976 -0.7048 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2469 2.5246 -0.5419 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