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
7.5531 -2.6656 0.6130 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2801 -1.6108 0.8500 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7302 -0.2762 0.7182 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4547 0.7460 0.9537 O 0 0 0 0 0 0 0 0 0 0 0 0
6.4241 -0.0311 0.3400 O 0 0 0 0 0 0 0 0 0 0 0 0
5.9241 1.3059 0.2229 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4566 1.2622 -0.2091 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6749 0.5723 0.7230 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3154 0.3722 0.6013 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5875 0.8486 -0.4811 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2297 0.6514 -0.6075 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4648 -0.0420 0.3610 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2555 -0.5160 1.4365 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6142 -0.3200 1.5653 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9104 -0.2682 0.2548 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5099 -0.9040 1.1557 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6535 0.1977 -0.8145 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0212 -0.0584 -0.8415 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5453 -1.1923 -1.4285 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8965 -1.4657 -1.4666 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.7960 -0.5872 -0.9014 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.2923 0.5568 -0.3070 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9323 0.8201 -0.2754 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.1513 -0.8814 -0.9507 O 0 0 0 0 0 0 0 0 0 0 0 0
-9.1034 0.0004 -0.3793 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5176 -2.5491 0.3114 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9025 -3.6850 0.6929 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3078 -1.7346 1.1491 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9899 1.7828 1.2077 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5447 1.7848 -0.5562 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4633 0.7426 -1.2056 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1002 2.2907 -0.4120 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1347 1.3943 -1.2431 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3387 1.0184 -1.4440 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3027 -1.0654 2.2011 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1458 -0.7121 2.4328 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8134 -1.8757 -1.8709 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2781 -2.3672 -1.9363 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0170 1.2358 0.1323 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5579 1.7310 0.2002 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.1077 0.9109 -1.0333 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.8103 0.3198 0.6408 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.1038 -0.4986 -0.3994 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