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
8.3909 0.8254 2.1900 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1512 -0.0167 1.2025 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0742 0.2267 0.2607 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3624 1.2541 0.3903 O 0 0 0 0 0 0 0 0 0 0 0 0
6.8286 -0.6459 -0.7596 O 0 0 0 0 0 0 0 0 0 0 0 0
5.8227 -0.5112 -1.7176 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4855 -0.4975 -1.0466 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5011 -0.3605 -2.0485 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1484 -0.3116 -1.7836 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2357 -0.1765 -2.8066 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1320 -0.1253 -2.5600 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6091 -0.2097 -1.2692 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2862 -0.3438 -0.2456 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6617 -0.3951 -0.4975 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0395 -0.1544 -1.0305 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8477 -0.0311 -1.9800 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5685 -0.2349 0.2456 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9366 -0.1812 0.4629 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6752 -1.3485 0.4685 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0471 -1.3438 0.6818 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.7169 -0.1577 0.8964 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.9885 1.0220 0.8935 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6306 0.9858 0.6794 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.0675 -0.1399 1.1076 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.7196 1.0941 1.3239 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7738 1.7090 2.2963 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1914 0.6492 2.8941 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7728 -0.8975 1.1035 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9359 0.4639 -2.2586 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8252 -1.3212 -2.4718 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3827 0.2144 -0.2313 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3138 -1.5178 -0.5937 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5949 -0.1098 -3.8154 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8521 -0.0184 -3.3708 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0696 -0.4116 0.7733 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3844 -0.5002 0.2909 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1980 -2.3034 0.3054 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6237 -2.2631 0.6855 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.4745 1.9814 1.0584 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0870 1.9132 0.6816 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.8234 0.8828 1.2514 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.5234 1.5225 2.3111 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.4930 1.7839 0.4868 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