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
9.2112 1.5605 1.3046 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4390 0.4384 1.6541 O 0 0 0 0 0 0 0 0 0 0 0 0
7.0977 0.3083 1.2948 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4976 1.3185 0.5656 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1528 1.1970 0.2006 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4123 0.0882 0.5539 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0420 -0.8876 1.2742 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3761 -0.7976 1.6526 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0864 0.0486 0.1512 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6455 -0.5388 -1.0238 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5506 -1.0607 -1.7425 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2424 -0.5585 -1.4113 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3077 0.0316 -0.5947 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0480 0.0261 -0.9415 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4838 -0.5686 -2.1055 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5289 -1.1736 -2.9444 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7859 -1.1448 -2.5671 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7628 -0.6400 -2.5438 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9576 -0.2088 -2.0293 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4061 -0.8062 -0.7359 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6695 -0.2425 -0.3479 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.3173 -0.6139 0.8135 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7320 -1.4872 1.5261 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.5917 -0.0627 1.2301 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.2158 0.8433 0.5056 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.2034 -0.5259 2.4954 C 0 0 0 0 0 0 0 0 0 0 0 0
10.2093 1.4213 1.7698 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3146 1.6432 0.2122 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7678 2.5089 1.7184 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0768 2.1922 0.2866 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7468 2.0211 -0.3675 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5032 -1.7573 1.5644 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8435 -1.5891 2.2223 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6262 0.5062 0.3289 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7472 0.5124 -0.2832 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8516 -1.6553 -3.8815 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5238 -1.6142 -3.2188 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8877 0.9121 -1.9278 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7761 -0.4345 -2.7720 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6352 -1.9075 -0.8639 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6589 -0.6782 0.0402 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.1710 1.2498 0.8275 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.8010 1.2146 -0.4342 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.2817 -0.3052 2.5604 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.6952 0.0622 3.3120 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.0366 -1.6022 2.6717 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