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
9.4756 -1.7211 -0.0809 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6937 -0.9772 -0.9722 O 0 0 0 0 0 0 0 0 0 0 0 0
7.4299 -0.5793 -0.6077 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9257 -0.9068 0.6289 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6423 -0.5078 1.0108 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8973 0.2312 0.0936 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4142 0.5536 -1.1443 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6849 0.1575 -1.5198 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6184 0.6479 0.4309 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4803 -0.0793 0.1915 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6063 -1.1975 -0.3712 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1404 0.3679 0.5502 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9255 1.5855 1.1708 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3449 1.9948 1.5033 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4715 1.1979 1.2280 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2546 -0.0134 0.6110 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0319 -0.3930 0.2911 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6906 1.6952 1.6006 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9463 1.1769 1.4534 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4661 0.9637 0.0739 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7904 0.4172 0.2261 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.5710 0.0962 -0.8784 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0539 0.3106 -2.0032 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.8981 -0.4514 -0.7876 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.4859 -0.6950 0.3734 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.6561 -0.7630 -2.0386 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9476 -2.6542 0.2007 H 0 0 0 0 0 0 0 0 0 0 0 0
9.6844 -1.1817 0.8650 H 0 0 0 0 0 0 0 0 0 0 0 0
10.4205 -1.9840 -0.6088 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5208 -1.4879 1.3410 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2362 -0.7611 1.9831 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7810 1.1290 -1.8056 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0595 0.4265 -2.4962 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7573 2.2479 1.4105 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5369 2.9476 1.9915 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0851 -0.6631 0.3940 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1727 -1.3390 -0.1885 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0805 0.2079 2.0313 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6684 1.8648 1.9990 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6210 1.9276 -0.4631 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9372 0.2725 -0.5620 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.9215 -0.4630 1.2680 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.4843 -1.1070 0.4201 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.7120 0.1662 -2.6289 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.6939 -1.0630 -1.8109 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.1762 -1.5974 -2.6037 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