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
-9.5029 -1.2372 -0.3629 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.7426 -1.1666 0.8198 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.4318 -0.7196 0.7524 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.8712 -0.3450 -0.4653 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5583 0.0949 -0.4825 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7899 0.1759 0.6505 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3776 -0.2033 1.8391 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.6840 -0.6495 1.9113 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4735 0.6078 0.6924 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4015 -0.2652 0.5445 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6784 -1.4682 0.3703 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0640 0.2693 0.6013 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8124 1.6074 0.7959 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4596 2.1230 0.8507 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5436 1.2524 0.7026 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3119 -0.0893 0.5078 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0139 -0.5687 0.4585 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7795 1.8120 0.7665 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0455 1.3068 0.6494 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4264 0.7010 -0.6706 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7836 0.2523 -0.5273 O 0 0 0 0 0 0 0 0 0 0 0 0
6.4391 -0.3653 -1.5944 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7804 -0.4954 -2.6497 O 0 0 0 0 0 0 0 0 0 0 0 0
7.8118 -0.8171 -1.4437 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4048 -1.3941 -2.4608 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5158 -0.6216 -0.1556 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.5469 -1.5070 -0.1924 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.0179 -2.0179 -1.0165 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.4230 -0.2604 -0.8920 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.4461 -0.3958 -1.3765 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1146 0.3874 -1.4202 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8168 -0.1571 2.7499 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.1670 -0.9521 2.8299 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6370 2.2961 0.9125 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6452 3.1549 1.0009 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1379 -0.7983 0.4044 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1079 -1.6481 0.3002 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7643 2.1515 0.8495 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2632 0.5757 1.4732 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4197 1.4808 -1.4806 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7762 -0.0987 -1.0247 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4126 -1.7331 -2.3710 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8824 -1.5275 -3.3836 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1301 -1.5282 0.0176 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1445 0.2883 -0.1471 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7734 -0.5866 0.6664 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