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
-8.6745 -1.3157 -3.1281 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.5871 -2.1670 -3.3753 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.3207 -1.9380 -2.8565 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2782 -2.7975 -3.1275 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0120 -2.5744 -2.6161 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8042 -1.4790 -1.8281 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8472 -0.5929 -1.5385 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0960 -0.8321 -2.0569 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5446 -1.2017 -1.2851 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0131 -2.0138 -0.3079 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7102 -3.0092 0.0504 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7170 -1.7687 0.3027 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0159 -0.6277 -0.0455 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2468 -0.3611 0.5250 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8041 -1.2094 1.4616 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0872 -2.3345 1.8061 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1512 -2.6030 1.2330 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0531 -0.9175 2.0355 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7444 0.2688 1.6682 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0527 0.3821 2.4039 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7381 1.5804 2.0548 O 0 0 0 0 0 0 0 0 0 0 0 0
5.2121 2.8229 2.3110 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0715 2.8479 2.8791 O 0 0 0 0 0 0 0 0 0 0 0 0
5.8574 4.0892 1.9854 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2296 5.1849 2.2962 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1850 4.0322 1.3253 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.6027 -1.8612 -3.4568 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.7231 -0.9681 -2.0854 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.5533 -0.4456 -3.8352 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4186 -3.6695 -3.7441 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2291 -3.2663 -2.8478 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6538 0.2791 -0.9016 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.9101 -0.1272 -1.8250 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4135 0.0359 -0.7691 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8172 0.5313 0.2489 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5120 -3.0093 2.5321 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7118 -3.4930 1.5111 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0354 0.0743 0.5856 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1318 1.1617 1.6470 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7437 -0.4364 2.1282 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9083 0.3228 3.4975 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6555 6.1526 2.0812 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2645 5.1895 2.7772 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9176 4.0044 2.1881 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3990 4.9488 0.7500 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2892 3.1110 0.6969 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