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
7.1093 -0.0064 5.4449 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6087 -0.3109 4.2591 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7482 -0.6591 3.1262 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3156 -0.9341 2.0372 O 0 0 0 0 0 0 0 0 0 0 0 0
5.3891 -0.6979 3.1971 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5121 -1.0211 2.1404 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6586 -0.0289 1.0408 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8924 -0.1690 -0.0746 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5923 -0.1642 -0.3831 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2147 -0.3699 -1.7188 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8924 -0.3769 -2.1116 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1186 -0.1808 -1.2024 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2217 0.0217 0.1027 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5681 0.0300 0.5085 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5123 -0.1908 -1.6311 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8379 -0.3773 -2.8372 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5605 0.0035 -0.7420 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8786 -0.0112 -1.1787 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5379 1.1229 -1.6045 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8510 1.0633 -2.0314 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.5582 -0.1206 -2.0521 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8997 -1.2611 -1.6255 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5854 -1.2004 -1.1983 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.8774 -0.1772 -2.4816 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.4952 1.0266 -2.9062 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7277 0.2511 6.2854 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0335 -0.0015 5.6306 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6799 -0.2953 4.1486 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4965 -0.9951 2.5451 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7989 -2.0630 1.8107 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7402 0.0102 0.6979 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4234 0.9812 1.5114 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0230 -0.5228 -2.4224 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6357 -0.5387 -3.1518 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5603 0.1775 0.8306 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7840 0.2062 1.5603 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9833 2.0684 -1.5913 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3450 1.9830 -2.3631 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.4562 -2.1933 -1.6417 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0731 -2.1014 -0.8639 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.5271 0.8880 -3.2256 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.4980 1.7986 -2.0912 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.9103 1.4413 -3.7475 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