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
9.1896 1.5842 0.1346 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1405 1.6161 1.0766 O 0 0 0 0 0 0 0 0 0 0 0 0
6.8404 1.2553 0.7524 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8927 1.3235 1.7500 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5856 0.9788 1.4911 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2001 0.5581 0.2261 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1391 0.4847 -0.7840 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4603 0.8374 -0.5066 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8559 0.2131 -0.0047 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4759 -1.1055 0.1994 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3122 -1.9675 0.5805 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0978 -1.5336 -0.0207 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1824 -0.6044 -0.4346 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1324 -1.0109 -0.6450 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5526 -2.3026 -0.4546 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5810 -3.2332 -0.0283 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7208 -2.8548 0.1847 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8197 -2.7622 -0.6363 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9114 -2.0093 -1.0030 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3293 -0.9860 0.0187 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4655 -0.3110 -0.5539 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.0681 0.6999 0.1806 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5875 0.9676 1.3026 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.2247 1.4427 -0.3139 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.7361 1.1703 -1.4879 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.8194 2.5057 0.5150 C 0 0 0 0 0 0 0 0 0 0 0 0
9.9788 2.3227 0.4359 H 0 0 0 0 0 0 0 0 0 0 0 0
8.8757 1.8736 -0.8812 H 0 0 0 0 0 0 0 0 0 0 0 0
9.6072 0.5461 0.0994 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1546 1.6491 2.7577 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8606 1.0405 2.2899 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8650 0.1602 -1.7783 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1982 0.7811 -1.2955 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4208 0.4326 -0.6089 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8254 -0.2665 -0.9981 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9032 -4.2515 0.1228 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4792 -3.5752 0.5162 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7593 -2.7205 -1.2251 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7745 -1.4802 -1.9874 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6766 -1.5491 0.9396 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5647 -0.3082 0.3816 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.3048 0.3991 -2.0894 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.5813 1.7140 -1.8480 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.3196 2.0054 1.3810 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0399 3.1719 0.9273 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.5563 3.0982 -0.0734 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