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
-9.2970 -0.1680 -0.4769 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.2561 -1.0658 -0.8024 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.9435 -0.8697 -0.4364 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0137 -1.8136 -0.8101 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6954 -1.6147 -0.4415 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3114 -0.5013 0.2828 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2796 0.4226 0.6374 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.6117 0.2559 0.2849 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9850 -0.3193 0.6431 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1553 0.3736 -0.2226 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6483 0.8027 -1.2924 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7635 0.5899 0.1075 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2449 0.1091 1.2880 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0993 0.3324 1.5799 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8862 1.0272 0.6883 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3637 1.5066 -0.4916 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0332 1.2801 -0.7703 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2181 1.2572 0.9611 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0278 1.9681 0.0508 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4542 2.0947 0.5700 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9595 0.7905 0.7398 O 0 0 0 0 0 0 0 0 0 0 0 0
6.1190 -0.1580 -0.2402 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7761 0.1801 -1.4226 O 0 0 0 0 0 0 0 0 0 0 0 0
6.6438 -1.4890 -0.0036 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0049 -1.8666 1.2002 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7732 -2.4295 -1.1296 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.1740 0.7994 -1.0066 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.2563 -0.6513 -0.8118 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.3333 0.0351 0.6088 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3079 -2.6824 -1.3742 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9305 -2.3254 -0.7104 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9488 1.2803 1.2020 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.3261 1.0082 0.5878 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8513 -0.4378 1.9967 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5513 -0.0239 2.4908 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0033 2.0489 -1.1737 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3985 1.6462 -1.6886 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9482 1.4929 -0.9252 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6320 3.0175 -0.1057 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0772 2.6353 -0.1802 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5057 2.6788 1.4892 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3946 -2.8464 1.3926 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9185 -1.1904 2.0453 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5941 -3.1570 -0.9784 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9314 -1.8896 -2.0874 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8169 -3.0139 -1.2646 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