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
6.1859 2.9341 -0.0693 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4731 1.8095 0.5311 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5121 0.7132 0.5161 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4227 0.8439 -0.0644 O 0 0 0 0 0 0 0 0 0 0 0 0
5.8136 -0.4369 1.1339 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1351 -1.6078 1.2804 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7842 -2.4144 0.0851 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9693 -1.8918 -0.8753 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6564 -1.5398 -0.8400 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8948 -1.7040 0.2806 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5436 -1.3232 0.2731 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0385 -0.7835 -0.8474 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7629 -0.6367 -1.9517 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0723 -0.9898 -1.9910 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4336 -0.3800 -0.8856 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9010 0.1065 -1.9436 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2700 -0.5105 0.1992 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6018 -0.1114 0.1210 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0247 1.1634 0.4347 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3501 1.5363 0.3498 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.3172 0.6401 -0.0566 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8768 -0.6437 -0.3705 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5553 -1.0173 -0.2863 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.6567 0.9909 -0.1502 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.0128 2.3162 0.1883 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2508 3.1083 -0.5931 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8791 3.7708 -0.0773 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4230 1.7089 1.0318 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2824 -1.4860 1.9949 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8361 -2.2877 1.9009 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7176 -2.8822 -0.3743 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2542 -3.3699 0.4569 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2634 -2.1342 1.1999 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0774 -1.4446 1.1517 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3372 -0.2085 -2.8719 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7237 -0.8855 -2.8437 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2661 1.8644 0.7530 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6888 2.5387 0.5956 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6327 -1.3570 -0.6920 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2121 -2.0220 -0.5321 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.3973 2.9832 -0.4453 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.7844 2.5375 1.2601 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.0961 2.5024 0.0514 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