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
8.2321 -1.2255 -1.8313 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8448 -1.3583 -0.5806 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5375 -0.8344 -0.1639 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8137 -0.2729 -0.9950 O 0 0 0 0 0 0 0 0 0 0 0 0
6.1012 -0.9563 1.1361 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8756 -0.4906 1.6357 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6975 1.0045 1.5156 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4880 1.4632 1.9945 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2636 1.1869 1.4445 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0928 0.4477 0.3014 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8068 0.2075 -0.1868 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3157 0.6861 0.4338 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1529 1.4270 1.5761 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0996 1.6777 2.0783 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6157 0.3981 -0.1284 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7276 -0.2875 -1.1817 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8078 0.8397 0.4293 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0537 0.5601 -0.1150 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6859 1.3499 -1.0386 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.9229 1.0726 -1.5791 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.5673 -0.0892 -1.1539 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.9616 -0.9137 -0.2219 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7038 -0.5858 0.2958 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.8033 -0.3418 -1.7110 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.5257 -1.4998 -1.3346 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6165 -0.7361 -2.5840 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1898 -1.6033 -2.1599 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4818 -1.8458 0.1244 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9880 -1.0382 1.3153 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9464 -0.6608 2.7751 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5439 1.5502 2.0079 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7425 1.2154 0.4007 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9447 0.0567 -0.2739 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7367 -0.3877 -1.0986 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0100 1.8334 2.1111 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2706 2.2529 2.9694 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1795 2.2514 -1.3648 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3967 1.7279 -2.3153 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.4836 -1.8132 0.0937 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2700 -1.2645 1.0246 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.0418 -2.3936 -1.7416 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.5664 -1.3489 -1.6898 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.5221 -1.5178 -0.2133 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