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
7.7504 3.5932 -0.4776 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1091 2.3616 -0.1900 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1328 1.3547 0.1791 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5439 0.1773 0.4471 O 0 0 0 0 0 0 0 0 0 0 0 0
5.7888 1.5897 0.2588 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8090 0.6282 0.6142 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7696 -0.5252 -0.3302 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8349 -1.4978 -0.0507 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4827 -1.3535 -0.0877 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7857 -0.2294 -0.4482 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3869 -0.2202 -0.4337 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3340 -1.3319 -0.0607 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3947 -2.4444 0.2942 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7536 -2.5065 0.2980 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7903 -1.3342 -0.0410 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3827 -2.3864 0.3120 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5579 -0.2464 -0.3878 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9533 -0.2625 -0.3637 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6190 0.1147 0.7791 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.9928 0.1122 0.8433 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.7269 -0.2739 -0.2531 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0571 -0.6483 -1.3882 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7006 -0.6451 -1.4493 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.1255 -0.2992 -0.2543 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.8090 0.0834 0.9065 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7145 3.8526 -0.4368 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4470 4.3691 -0.7563 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1547 2.1117 -0.2343 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0701 0.1995 1.6436 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8470 1.1081 0.7592 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7793 -0.9849 -0.4844 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5168 -0.1419 -1.3749 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3245 0.6391 -0.7694 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1202 0.6826 -0.7228 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1669 -3.3409 0.5940 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3148 -3.3958 0.5820 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0631 0.4296 1.6754 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5348 0.4084 1.7408 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6383 -0.9574 -2.2664 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1776 -0.9405 -2.3447 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.6752 1.1925 1.0130 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.3922 -0.4239 1.8009 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.8935 -0.1777 0.8654 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