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
-9.4563 -1.5203 1.0261 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.7755 -0.8686 -0.0237 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.4744 -0.4000 0.0972 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.7232 -0.5237 1.2465 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4226 -0.0268 1.2893 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8347 0.5991 0.2097 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5935 0.7198 -0.9396 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.8893 0.2250 -0.9828 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5368 1.0881 0.2705 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4994 0.2531 -0.1038 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7874 -0.9121 -0.4826 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1025 0.6711 -0.0747 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1091 -0.2027 -0.4588 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2343 0.1851 -0.4340 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5967 1.4556 -0.0230 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5909 2.3170 0.3577 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7458 1.9340 0.3340 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9281 1.8401 0.0018 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9203 0.8940 -0.4081 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2510 1.5971 -0.2707 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2871 0.7224 -0.6613 O 0 0 0 0 0 0 0 0 0 0 0 0
6.5741 -0.4877 -0.0689 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8698 -0.8636 0.9012 O 0 0 0 0 0 0 0 0 0 0 0 0
7.6530 -1.3383 -0.5214 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8866 -2.4807 0.0746 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4875 -0.9071 -1.6600 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.5449 -1.5075 0.7357 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.2047 -2.6204 1.0582 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.2839 -1.0282 1.9981 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.1579 -1.0092 2.1070 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8303 -0.1278 2.2055 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1397 1.2111 -1.7949 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.4715 0.3315 -1.9023 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3733 -1.2116 -0.7870 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0215 -0.4879 -0.7317 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8778 3.2963 0.6736 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5412 2.6257 0.6384 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7401 0.6509 -1.4779 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8373 -0.0375 0.1560 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2399 2.5277 -0.8505 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4389 1.8842 0.7850 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2709 -2.7877 0.9066 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6764 -3.1623 -0.2141 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5611 -1.7738 -2.3732 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5286 -0.6606 -1.3492 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0261 -0.0830 -2.2411 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