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
8.4104 1.2311 3.2652 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1637 0.9247 1.9229 O 0 0 0 0 0 0 0 0 0 0 0 0
6.8870 0.7821 1.4448 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7865 0.9308 2.2418 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4866 0.7847 1.7536 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2687 0.4813 0.4317 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3509 0.3275 -0.3869 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6362 0.4733 0.1040 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9942 0.3292 -0.0816 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2007 -0.7718 0.2081 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6979 -1.6424 0.9701 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8607 -0.9823 -0.2958 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0844 -2.0691 0.0664 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1837 -2.2059 -0.4454 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7279 -1.2972 -1.3157 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9698 -0.2071 -1.6912 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3029 -0.0811 -1.1696 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9963 -1.4237 -1.8281 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5068 -0.4717 -2.7293 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9395 -0.9537 -3.0213 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6554 -0.9807 -1.8100 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.8936 0.1599 -1.0907 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4690 1.2671 -1.5308 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.6254 0.1537 0.1778 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.8204 1.2768 0.8024 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.1390 -1.1076 0.7674 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4459 0.3459 3.9244 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4164 1.7189 3.3917 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6461 1.8993 3.6715 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8569 1.1624 3.2894 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6367 0.9115 2.4350 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1964 0.0862 -1.4282 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5209 0.3556 -0.5206 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5439 -2.7633 0.7552 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8042 -3.0631 -0.1601 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3454 0.5293 -2.3680 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8657 0.7901 -1.4844 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4799 0.5671 -2.3618 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9243 -0.4732 -3.6901 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8323 -2.0210 -3.3487 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4039 -0.3194 -3.7992 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.4507 2.1945 0.3922 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.3566 1.3058 1.7343 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7206 -1.9851 0.2272 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.2463 -1.0975 0.7499 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7687 -1.2152 1.8303 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