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
8.5018 2.2222 0.7620 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5585 0.9448 0.4365 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3813 0.1088 0.4201 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5274 -1.1188 0.0925 O 0 0 0 0 0 0 0 0 0 0 0 0
6.1233 0.5292 0.7279 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9435 -0.2306 0.7252 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6585 -0.7302 -0.6439 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5406 -1.4918 -0.8406 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2203 -1.3058 -0.6990 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6094 -0.1593 -0.2783 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2173 -0.0567 -0.1587 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5847 -1.1295 -0.4685 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0075 -2.2862 -0.8918 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3775 -2.3769 -1.0059 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0346 -1.0235 -0.3442 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7554 -2.0200 -0.6335 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6528 0.1211 0.0766 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0211 0.2849 0.2153 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7356 0.7444 -0.8616 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0896 0.9165 -0.7551 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.6929 0.6190 0.4426 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0057 0.1571 1.5396 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6245 -0.0147 1.4194 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.0690 0.7940 0.5504 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.8591 1.2635 -0.5218 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3889 2.8593 0.7761 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5340 2.6313 1.0200 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5117 0.5240 0.1780 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1580 0.3886 1.1906 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1292 -1.0637 1.4604 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6795 0.1764 -1.3181 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5435 -1.3483 -0.9728 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1822 0.7144 -0.0282 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2400 0.8599 0.1760 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6222 -3.1454 -1.1408 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7922 -3.3145 -1.3450 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2348 0.9702 -1.7905 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6441 1.2854 -1.6283 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.4722 -0.0784 2.4823 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0489 -0.3804 2.2731 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.6759 2.3494 -0.6847 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.5981 0.7296 -1.4379 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.9251 1.0807 -0.2721 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