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
9.4715 -0.1125 -1.6829 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1671 -0.1836 -1.6164 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5538 -0.7180 -0.4077 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2402 -1.1147 0.5776 O 0 0 0 0 0 0 0 0 0 0 0 0
6.1664 -0.8212 -0.2723 O 0 0 0 0 0 0 0 0 0 0 0 0
5.6086 -1.3461 0.9184 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1245 -1.3352 0.7785 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6193 -0.0292 0.5727 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2634 0.2161 0.4163 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3622 -0.8308 0.4594 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0031 -0.6268 0.3071 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4863 0.6424 0.1078 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3939 1.6911 0.0626 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7625 1.4818 0.2158 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9170 0.8350 -0.0491 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3784 2.0111 -0.2351 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8329 -0.1859 -0.0105 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1894 -0.0096 -0.1585 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7782 -0.0606 -1.3999 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.1410 0.1198 -1.5184 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.9354 0.3499 -0.4343 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.3306 0.3986 0.8065 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9664 0.2208 0.9515 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.3031 0.5251 -0.6081 O 0 0 0 0 0 0 0 0 0 0 0 0
-9.1769 0.7663 0.4750 C 0 0 0 0 0 0 0 0 0 0 0 0
9.9187 0.2870 -2.5874 H 0 0 0 0 0 0 0 0 0 0 0 0
10.0665 -0.4432 -0.8599 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5265 0.1390 -2.4242 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9266 -0.7426 1.8096 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9209 -2.4168 1.0497 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5880 -1.7465 1.6540 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8673 -1.9069 -0.1563 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7567 -1.8157 0.6158 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7107 -1.4414 0.3400 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0471 2.7190 -0.0946 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4349 2.3340 0.1751 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1949 -0.2423 -2.3135 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6276 0.0819 -2.5056 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.9784 0.5845 1.6747 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5433 0.2702 1.9607 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.2573 -0.1704 1.0487 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.1759 1.0160 0.0661 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.8600 1.6103 1.0973 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