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
8.7095 -1.4858 -0.3144 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1476 -1.4667 0.8755 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8986 -0.7598 1.0848 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3245 -0.7120 2.1971 O 0 0 0 0 0 0 0 0 0 0 0 0
6.2706 -0.0898 0.0365 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0304 0.6136 0.2388 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6754 1.1942 -1.0945 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5272 1.9249 -1.1928 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2078 1.6208 -1.0189 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2581 2.6485 -1.1857 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0868 2.4112 -1.0275 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5712 1.1625 -0.6995 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3282 0.1413 -0.5306 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6913 0.3890 -0.6929 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0132 0.9677 -0.5441 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7875 1.9430 -0.7124 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5799 -0.2419 -0.2190 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9449 -0.4518 -0.0660 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5367 -0.2866 1.1666 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8761 -0.4757 1.3937 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.6795 -0.8491 0.3465 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.1241 -1.0264 -0.9118 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7601 -0.8273 -1.1132 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.0373 -1.0605 0.4871 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.6246 -0.8834 1.7702 C 0 0 0 0 0 0 0 0 0 0 0 0
9.6468 -2.0095 -0.4961 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2221 -0.9668 -1.1243 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5852 -1.9686 1.7344 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3227 -0.1100 0.6043 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2042 1.4570 0.9632 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5675 1.6992 -1.5496 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5435 0.2920 -1.7797 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5679 3.6438 -1.4413 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8069 3.2290 -1.1629 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0252 -0.8425 -0.2743 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3734 -0.4394 -0.5659 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9093 0.0040 1.9799 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3426 -0.3443 2.3707 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7331 -1.3217 -1.7613 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3082 -0.9623 -2.0948 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.7351 -0.8311 1.6920 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.2981 -1.6797 2.4427 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.3218 0.1185 2.1898 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