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
-9.3379 1.9884 0.4216 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.5484 1.2569 1.3302 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.2775 0.8386 0.9693 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.4752 0.1210 1.8307 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2064 -0.2932 1.4624 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6939 0.0011 0.2052 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5189 0.7179 -0.6296 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.7812 1.1374 -0.2811 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4347 -0.4367 -0.0961 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2713 0.2482 0.1188 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3460 1.3957 0.6447 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9613 -0.2870 -0.2307 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8504 -1.5328 -0.8040 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3614 -2.0851 -1.1527 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5628 -1.3872 -0.9341 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4425 -0.1508 -0.3658 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2056 0.4019 -0.0143 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7045 -2.0097 -1.3126 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0033 -1.5686 -1.1766 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4214 -1.4646 0.2693 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7381 -1.0112 0.4001 O 0 0 0 0 0 0 0 0 0 0 0 0
6.1866 0.2214 -0.0318 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3809 1.0151 -0.5803 O 0 0 0 0 0 0 0 0 0 0 0 0
7.6034 0.6115 0.1467 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4550 -0.2185 0.7226 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0204 1.9432 -0.3365 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.3543 1.4891 -0.5836 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.9437 3.0169 0.3070 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.3986 2.0519 0.7380 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8565 -0.1192 2.8169 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6459 -0.8508 2.1991 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1555 0.9646 -1.6124 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.3693 1.7001 -1.0001 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7815 -2.0786 -0.9756 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4431 -3.0669 -1.6040 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3286 0.4383 -0.2030 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1953 1.3851 0.4318 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7105 -2.3333 -1.6365 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1948 -0.5896 -1.6806 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4290 -2.5323 0.7055 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7415 -0.8821 0.8826 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1538 -1.1883 1.0751 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4792 0.0964 0.8371 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6715 2.4390 0.4347 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1433 2.6136 -0.4517 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6318 1.8936 -1.2556 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