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
9.6163 0.0475 0.1354 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7537 1.0836 0.5674 O 0 0 0 0 0 0 0 0 0 0 0 0
7.3863 0.9366 0.3510 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8727 -0.1856 -0.2676 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5146 -0.3219 -0.4776 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6067 0.6425 -0.0865 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1155 1.7526 0.5255 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4727 1.8954 0.7387 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2594 0.4278 -0.3349 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4094 -0.2021 0.5435 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9270 -0.5895 1.6223 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9847 -0.4149 0.2512 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4018 -0.0035 -0.9115 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9353 -0.2213 -1.1480 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7123 -0.8545 -0.2249 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1563 -1.2843 0.9625 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1955 -1.0552 1.1827 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0702 -1.1010 -0.4120 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8576 -1.7601 0.5598 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2792 -1.8689 0.0516 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7799 -0.5650 -0.1770 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.0666 -0.3486 -0.6487 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.7961 -1.3701 -0.8739 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.5705 0.9803 -0.8794 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.7995 1.1630 -1.3291 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.7301 2.1547 -0.6199 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2446 -0.8968 0.6252 H 0 0 0 0 0 0 0 0 0 0 0 0
10.6498 0.1943 0.4389 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4928 -0.0868 -0.9672 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5886 -0.9463 -0.5761 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1421 -1.2273 -0.9724 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4389 2.5290 0.8461 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8979 2.7780 1.2275 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0507 0.5028 -1.6352 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3584 0.1127 -2.0660 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7743 -1.7945 1.7104 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6087 -1.3993 2.1169 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4428 -2.7451 0.8246 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8735 -1.0840 1.4549 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3175 -2.4575 -0.8872 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9267 -2.3201 0.8321 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.1990 2.1412 -1.5092 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.4655 0.3248 -1.5382 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.2378 2.9153 0.0126 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5342 2.6435 -1.6133 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7471 1.8786 -0.1825 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