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
7.2433 1.5202 0.7333 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0330 0.9816 -0.1731 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5482 -0.0835 -1.0661 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2725 -0.6044 -1.9254 O 0 0 0 0 0 0 0 0 0 0 0 0
6.2427 -0.5052 -0.9302 O 0 0 0 0 0 0 0 0 0 0 0 0
5.6523 -1.5189 -1.7233 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2078 -1.6499 -1.2245 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6123 -0.3860 -1.4204 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2845 -0.2359 -1.0443 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5469 -1.2627 -0.4973 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2429 -1.0031 -0.1621 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3660 0.2202 -0.3414 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3730 1.2417 -0.8872 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6859 1.0063 -1.2326 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7806 0.4252 0.0455 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3052 1.5485 -0.1301 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5248 -0.6047 0.5957 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8551 -0.3317 0.9350 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1969 0.1371 2.1868 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5044 0.4094 2.5319 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.5332 0.2234 1.6339 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.1974 -0.2449 0.3813 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8888 -0.5156 0.0413 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.8575 0.5002 1.9863 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.9254 0.3150 1.0773 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6149 2.2933 1.3728 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2121 1.2184 0.8732 H 0 0 0 0 0 0 0 0 0 0 0 0
9.0487 1.3386 -0.2489 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5936 -1.2378 -2.7909 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1158 -2.5140 -1.5617 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2875 -1.7968 -0.1217 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6801 -2.4642 -1.7390 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0231 -2.2388 -0.3512 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3596 -1.8067 0.2740 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0862 2.2274 -1.0416 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2560 1.8354 -1.6662 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3825 0.2863 2.9033 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7647 0.7814 3.5290 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0057 -0.3897 -0.3202 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6158 -0.8869 -0.9493 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.8043 0.9051 1.4137 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.6460 0.7544 0.0816 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.1770 -0.7653 0.9527 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