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
9.0131 1.0737 0.7514 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9036 1.4963 1.5207 O 0 0 0 0 0 0 0 0 0 0 0 0
6.6389 1.3135 0.9836 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5481 1.7207 1.7225 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2732 1.5495 1.2088 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1095 0.9768 -0.0292 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1805 0.5592 -0.7926 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4498 0.7413 -0.2563 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8306 0.8038 -0.5471 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0569 -0.3074 -0.3614 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5225 -1.2492 0.3253 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7121 -0.4707 -0.9153 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1091 0.4931 -1.6778 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1535 0.3147 -2.1849 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9022 -0.8549 -1.9578 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2873 -1.8165 -1.1922 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0076 -1.6206 -0.6851 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1400 -0.9116 -2.5181 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0740 -1.9228 -2.4103 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5803 -2.0623 -1.0153 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1893 -0.8031 -0.6679 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.7363 -0.6975 0.6001 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6626 -1.7060 1.3562 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.3753 0.5296 1.0524 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.4269 1.5534 0.2268 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.9379 0.5673 2.4224 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0202 1.5973 -0.2333 H 0 0 0 0 0 0 0 0 0 0 0 0
9.9201 1.2959 1.3164 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9267 0.0015 0.5318 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6391 2.1774 2.7052 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3770 1.8477 1.7383 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0337 0.1031 -1.7805 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3130 0.4280 -0.8221 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6594 1.4074 -1.8718 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6365 1.0812 -2.7929 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7726 -2.7580 -0.9881 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4407 -2.4074 -0.0833 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9208 -1.7688 -3.1457 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6342 -2.9091 -2.7776 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8065 -2.2452 -0.2826 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3453 -2.8696 -0.9184 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0106 1.4939 -0.7577 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.9136 2.4781 0.5805 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2169 0.1012 3.1224 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.9159 0.0431 2.4122 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0316 1.6316 2.7113 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