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
7.6810 -0.3103 1.3420 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3150 0.1722 0.2899 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6083 0.3570 -0.9868 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2079 0.8148 -1.9867 O 0 0 0 0 0 0 0 0 0 0 0 0
6.2749 0.0319 -1.1117 O 0 0 0 0 0 0 0 0 0 0 0 0
5.6317 0.2229 -2.3507 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2022 -0.2072 -2.2084 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5632 0.5706 -1.2062 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2214 0.3483 -0.8973 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4974 -0.6225 -1.5538 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1735 -0.8191 -1.2269 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4760 -0.0844 -0.2622 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2596 0.8818 0.3853 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6064 1.0962 0.0667 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8750 -0.3279 0.0486 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4953 -1.2258 -0.5778 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5805 0.3721 1.0016 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9295 0.1189 1.2835 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8449 0.8402 0.5469 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.1969 0.6723 0.7402 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.6418 -0.2274 1.6812 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6969 -0.9367 2.4049 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3384 -0.7855 2.2289 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.9976 -0.3922 1.8713 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.9180 0.3505 1.1124 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2054 -0.4412 2.2679 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6244 -0.5697 1.2490 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3597 0.4372 0.3528 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6687 1.2931 -2.6243 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1231 -0.3957 -3.1286 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2065 -1.2648 -1.8394 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6334 -0.1817 -3.1559 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9893 -1.2226 -2.3265 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3618 -1.5882 -1.7619 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1853 1.4886 1.1463 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1703 1.8671 0.5923 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5352 1.5567 -0.2018 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8913 1.2531 0.1465 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0520 -1.6518 3.1528 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5884 -1.3203 2.7741 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.9202 -0.1016 1.2820 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.9680 1.4075 1.4154 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.7304 0.3139 0.0242 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