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
-9.3592 -0.3464 -0.0422 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.3599 -1.1503 -0.6272 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.0306 -0.9482 -0.2902 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.6811 0.0219 0.6025 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3412 0.2033 0.9226 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3872 -0.5722 0.3571 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7429 -1.5495 -0.5427 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0717 -1.7538 -0.8816 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0473 -0.4125 0.6581 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2709 0.4566 -0.0919 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8228 1.0742 -1.0293 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8648 0.6000 0.2527 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2965 -0.0898 1.2821 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0593 0.0739 1.5841 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8386 0.9355 0.8441 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2608 1.6297 -0.1940 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0869 1.4605 -0.4865 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1774 1.0904 1.1504 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9542 1.9679 0.3905 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3932 2.0236 0.8516 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0327 0.7874 0.7815 O 0 0 0 0 0 0 0 0 0 0 0 0
6.2180 0.0356 -0.3628 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7737 0.5017 -1.4353 O 0 0 0 0 0 0 0 0 0 0 0 0
6.9083 -1.2442 -0.2821 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3580 -1.6903 0.8765 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0863 -2.0200 -1.5333 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.1101 0.7267 -0.0559 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.2971 -0.4820 -0.6426 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.5277 -0.6377 1.0226 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.4129 0.6698 1.0828 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0945 0.9792 1.6327 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0078 -2.1864 -1.0129 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.4020 -2.5057 -1.5806 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9166 -0.7611 1.8540 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5075 -0.4682 2.3937 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8928 2.2990 -0.7591 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5296 2.0138 -1.3074 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8956 1.6641 -0.6749 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4969 2.9697 0.4579 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9119 2.8377 0.3169 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3750 2.3279 1.9266 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2365 -1.1377 1.7965 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8705 -2.6403 0.9365 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1248 -1.9104 -1.9337 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9792 -3.1085 -1.2815 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3104 -1.7348 -2.2570 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