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
9.4019 0.8565 0.0079 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4236 1.4362 0.8424 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1114 1.0004 0.7852 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1443 1.5561 1.5932 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8332 1.1569 1.5712 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4778 0.1525 0.6962 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4341 -0.4090 -0.1144 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7476 -0.0090 -0.0923 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1344 -0.2710 0.6597 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2372 0.3411 -0.2045 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6940 1.2641 -0.9232 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8297 -0.0650 -0.2780 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3273 -1.0737 0.5064 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0010 -1.4248 0.4068 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8593 -0.7868 -0.4691 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3507 0.2267 -1.2561 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0201 0.5740 -1.1522 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1990 -1.1339 -0.5761 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7126 -2.1607 0.2216 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1591 -2.3966 -0.0242 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.9855 -1.3260 0.2212 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.0638 -0.0920 -0.3605 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2532 0.1450 -1.3001 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.0132 0.9272 0.0463 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.0298 2.0855 -0.5567 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.9563 0.6513 1.1395 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3394 -0.2423 0.1294 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2131 1.1717 -1.0461 H 0 0 0 0 0 0 0 0 0 0 0 0
10.3835 1.2532 0.3321 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4525 2.3369 2.2644 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1138 1.6278 2.2281 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1433 -1.1916 -0.7923 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4922 -0.4554 -0.7324 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9560 -1.5974 1.2010 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4445 -2.2218 1.0116 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0272 0.7332 -1.9500 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3550 1.3857 -1.7929 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6199 -1.8116 1.2952 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1147 -3.1054 0.1241 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3346 -2.8200 -1.0670 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4967 -3.2392 0.6342 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3468 2.3027 -1.3578 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.7347 2.8756 -0.2725 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.1186 -0.4367 1.2658 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.4785 1.0119 2.0922 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.9256 1.1977 1.0068 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