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
-8.3435 1.0360 2.1874 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.4866 0.5736 0.9697 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.3549 -0.0073 0.2234 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.5829 -0.4248 -0.9350 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.0960 -0.1006 0.7465 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.9549 -0.6369 0.1039 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6349 0.1589 -1.1165 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5500 -0.2204 -1.8606 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2251 -0.2693 -1.5701 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3214 -0.7324 -2.5358 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0333 -0.8030 -2.3008 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5642 -0.4184 -1.0964 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2977 0.0392 -0.1334 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6799 0.1133 -0.3687 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9918 -0.4898 -0.8396 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7986 -0.9124 -1.7254 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5660 -0.1109 0.3633 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9325 -0.1843 0.5956 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5724 -1.2799 1.1163 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9294 -1.2828 1.3198 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6686 -0.1574 0.9932 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0585 0.9490 0.4727 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6842 0.9270 0.2763 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0255 -0.1642 1.1982 O 0 0 0 0 0 0 0 0 0 0 0 0
8.8802 0.9013 0.9120 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.1727 1.4520 2.7107 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.3842 0.9937 2.6565 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.4590 0.6235 0.5113 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1484 -0.8167 0.8084 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2702 -1.6799 -0.2461 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5069 1.2375 -0.8119 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5452 0.1356 -1.7862 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7622 -1.0324 -3.4838 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6584 -1.1801 -3.1221 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0258 0.3637 0.8438 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3202 0.5009 0.4270 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9950 -2.1496 1.3677 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4278 -2.1565 1.7332 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6151 1.8273 0.2149 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2351 1.8323 -0.1420 H 0 0 0 0 0 0 0 0 0 0 0 0
8.8967 1.6175 1.7827 H 0 0 0 0 0 0 0 0 0 0 0 0
9.9123 0.4871 0.7678 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6252 1.4406 -0.0122 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