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
-9.3583 0.3017 -1.7011 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.6835 1.0159 -0.7114 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.2918 1.0624 -0.6233 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.4621 0.4056 -1.5076 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0904 0.4820 -1.3788 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4807 1.2068 -0.3760 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3098 1.8643 0.5092 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.6904 1.7897 0.3827 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0947 1.2582 -0.2812 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4265 0.3124 0.4783 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0894 -0.5765 1.0689 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9777 0.3015 0.6249 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1833 1.2643 -0.0079 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1844 1.2417 0.1393 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7749 0.2724 0.9091 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0179 -0.6889 1.5443 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3475 -0.6538 1.3881 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1444 0.2290 1.0718 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9514 1.1949 0.4374 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4231 0.9396 0.7662 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7300 -0.3459 0.2945 O 0 0 0 0 0 0 0 0 0 0 0 0
6.9815 -0.9386 0.4084 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8715 -0.2589 0.9719 O 0 0 0 0 0 0 0 0 0 0 0 0
7.2798 -2.2649 -0.0834 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4864 -2.7573 0.0607 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2283 -3.0552 -0.7428 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.8705 0.5186 -2.6788 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.3975 0.6369 -1.7845 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.2660 -0.7942 -1.5524 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.9287 -0.1671 -2.2996 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4436 -0.0347 -2.0748 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8490 2.4409 1.3063 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.3151 2.3121 1.0867 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7116 1.9986 -0.5986 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7689 1.9974 -0.3610 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4918 -1.4322 2.1366 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9984 -1.3922 1.8693 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7217 2.2254 0.7550 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7741 1.1347 -0.6490 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6096 1.0958 1.8288 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0441 1.6566 0.1972 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2734 -2.1939 0.5421 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7235 -3.7467 -0.3017 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6544 -3.9702 -1.2199 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5131 -3.4242 0.0319 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6181 -2.4642 -1.4558 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