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
-7.4745 2.1517 -0.3726 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.2428 1.1350 -0.0760 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.6282 -0.1862 0.0544 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.3251 -1.2101 0.3409 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.2756 -0.3961 -0.1233 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.6939 -1.6894 0.0075 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2177 -1.5778 -0.2450 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6576 -0.7030 0.6901 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3006 -0.4400 0.6565 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5132 -1.0425 -0.2979 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1507 -0.7573 -0.3054 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3830 0.1126 0.6306 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4115 0.7140 1.5856 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7534 0.4272 1.5856 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8176 0.3576 0.5543 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3320 1.1430 1.3908 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6295 -0.2372 -0.3972 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9719 0.0560 -0.3894 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8456 -0.6999 0.3449 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2104 -0.4162 0.3639 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6429 0.6468 -0.3795 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7814 1.4161 -1.1221 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4377 1.1126 -1.1222 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0010 0.9896 -0.4073 O 0 0 0 0 0 0 0 0 0 0 0 0
8.9228 0.2274 0.3402 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.4176 2.0323 -0.5190 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.8964 3.1332 -0.4749 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.2967 1.2957 0.0629 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9105 -2.1408 0.9875 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1171 -2.3829 -0.7586 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0599 -1.1423 -1.2565 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7929 -2.6096 -0.1776 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8846 -1.7218 -1.0408 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4655 -1.2316 -1.0558 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0663 1.3812 2.2854 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3976 0.8865 2.3249 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5436 -1.5512 0.9480 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9064 -1.0026 0.9367 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1361 2.2483 -1.7014 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7734 1.7336 -1.7161 H 0 0 0 0 0 0 0 0 0 0 0 0
8.8090 -0.8614 0.0663 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7820 0.2894 1.4222 H 0 0 0 0 0 0 0 0 0 0 0 0
9.9600 0.5104 0.0388 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