Monomers
4-[2-(Acryloyloxy)ethoxy]benzoic acid 4-methoxyphenyl ester
Identifiers
IUPAC name
(4-methoxyphenyl) 4-(2-prop-2-enoyloxyethoxy)benzoate
InchI
InChI=1S/C19H18O6/c1-3-18(20)24-13-12-23-16-6-4-14(5-7-16)19(21)25-17-10-8-15(22-2)9-11-17/h3-11H,1,12-13H2,2H3
InchI Key
FJYJQYRUKLDXEE-UHFFFAOYSA-N
SMILES
C=CC(=O)OCCOc1ccc(cc1)C(=O)Oc1ccc(cc1)OC
Canonical SMILES
COC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)OCCOC(=O)C=C
Isomeric SMILES
COC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)OCCOC(=O)C=C
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C19H18O6
Heavy Atom Count
25
Molecular Weight
342.347
Exact Molecular Weight
342.1103
Valence Electrons
130
Radical Electrons
0
tPSA
71.06
MolLogP
3.0224
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
43 44 0 0 0 0 0 0 0 0999 V2000
7.1624 -2.9408 -0.4512 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0585 -1.9829 -0.2870 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6415 -0.6714 0.1780 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4731 0.2549 0.3420 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3239 -0.4333 0.4438 O 0 0 0 0 0 0 0 0 0 0 0 0
5.9329 0.8509 0.8966 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4159 0.7844 1.0974 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8655 0.4614 -0.1654 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4686 0.3406 -0.2466 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6541 0.5278 0.8575 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2661 0.3998 0.7415 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3166 0.0871 -0.4647 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5288 -0.0909 -1.5381 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9006 0.0263 -1.4649 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7686 -0.0538 -0.6175 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2247 -0.3413 -1.7536 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6541 0.1102 0.4074 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0313 -0.0168 0.2928 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7860 1.0942 -0.0245 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.1787 1.0160 -0.1513 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.8350 -0.1816 0.0392 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0783 -1.2943 0.3570 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7066 -1.2015 0.4785 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.2110 -0.3306 -0.0706 O 0 0 0 0 0 0 0 0 0 0 0 0
-9.0902 0.7125 -0.3862 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1042 -2.7802 -0.2471 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5009 -3.8995 -0.7960 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1194 -2.1770 -0.5018 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1795 1.5775 0.0970 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4353 1.1037 1.8679 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2127 -0.1089 1.7523 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0153 1.7018 1.5296 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1161 0.7705 1.7907 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3605 0.5476 1.6078 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1044 -0.3374 -2.5008 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5202 -0.1286 -2.3604 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3151 2.0634 -0.1849 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7715 1.8758 -0.3976 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6016 -2.2449 0.5080 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1168 -2.0697 0.7264 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.0403 0.3201 -0.8011 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.3047 1.2775 0.5386 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.6083 1.3946 -1.1387 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 3
2 3 1 0
3 4 2 0
3 5 1 0
5 6 1 0
6 7 1 0
7 8 1 0
8 9 1 0
9 10 2 0
10 11 1 0
11 12 2 0
12 13 1 0
13 14 2 0
12 15 1 0
15 16 2 0
15 17 1 0
17 18 1 0
18 19 2 0
19 20 1 0
20 21 2 0
21 22 1 0
22 23 2 0
21 24 1 0
24 25 1 0
14 9 1 0
23 18 1 0
1 26 1 0
1 27 1 0
2 28 1 0
6 29 1 0
6 30 1 0
7 31 1 0
7 32 1 0
10 33 1 0
11 34 1 0
13 35 1 0
14 36 1 0
19 37 1 0
20 38 1 0
22 39 1 0
23 40 1 0
25 41 1 0
25 42 1 0
25 43 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers