Monomers
4-Butoxyphenyl 4-[2-(acryloyloxy)ethoxy]benzoate
Identifiers
IUPAC name
(4-butoxyphenyl) 4-(2-prop-2-enoyloxyethoxy)benzoate
InchI
InChI=1S/C22H24O6/c1-3-5-14-25-19-10-12-20(13-11-19)28-22(24)17-6-8-18(9-7-17)26-15-16-27-21(23)4-2/h4,6-13H,2-3,5,14-16H2,1H3
InchI Key
MLVGJHUPVVXAFC-UHFFFAOYSA-N
SMILES
CCCCOc1ccc(cc1)OC(=O)c1ccc(cc1)OCCOC(=O)C=C
Canonical SMILES
CCCCOC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)OCCOC(=O)C=C
Isomeric SMILES
CCCCOC1=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
C22H24O6
Heavy Atom Count
28
Molecular Weight
384.428
Exact Molecular Weight
384.1573
Valence Electrons
148
Radical Electrons
0
tPSA
71.06
MolLogP
4.1927
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
52 53 0 0 0 0 0 0 0 0999 V2000
8.9579 -1.0784 1.8106 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4779 -0.4115 0.5246 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8650 0.9165 0.9395 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3483 1.6848 -0.2267 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3755 1.1130 -0.9948 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1046 0.7420 -0.7068 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5105 0.9089 0.5023 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1916 0.4804 0.6771 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4645 -0.1043 -0.3231 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0964 -0.2583 -1.5381 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3899 0.1437 -1.7658 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1571 -0.5451 -0.2002 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0587 0.2452 -0.4607 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2855 1.4265 -0.8282 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3189 -0.2139 -0.3328 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6324 -1.4882 0.0629 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9135 -1.9547 0.1945 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9711 -1.0803 -0.0915 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6592 0.1977 -0.4891 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3630 0.6321 -0.6101 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2148 -1.5870 0.0514 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.4854 -1.1230 -0.0914 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.9213 -0.0084 0.8105 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.2564 0.4002 0.5812 O 0 0 0 0 0 0 0 0 0 0 0 0
-9.3579 -0.4108 0.7287 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.2217 -1.5863 1.0872 O 0 0 0 0 0 0 0 0 0 0 0 0
-10.7009 0.1171 0.4606 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.8653 1.3557 0.0811 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3325 -0.7728 2.6755 H 0 0 0 0 0 0 0 0 0 0 0 0
8.8598 -2.1747 1.7109 H 0 0 0 0 0 0 0 0 0 0 0 0
10.0252 -0.7843 2.0193 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3525 -0.2285 -0.1103 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7293 -1.0803 0.0853 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6999 1.5250 1.3862 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1524 0.7126 1.7304 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9864 2.6873 0.1594 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2205 1.9222 -0.9163 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0184 1.3819 1.3462 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7062 0.6090 1.6429 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5660 -0.7214 -2.3839 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8850 0.0193 -2.7294 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8097 -2.1839 0.2902 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1302 -2.9872 0.5155 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4717 0.9053 -0.7356 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1544 1.6676 -0.9322 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.1859 -1.9849 0.1079 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7122 -0.8372 -1.1495 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3028 0.8781 0.6321 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7723 -0.2741 1.8930 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.5523 -0.5250 0.5790 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.9883 2.0069 -0.0379 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.8558 1.7255 -0.1109 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 1 0
4 5 1 0
5 6 1 0
6 7 2 0
7 8 1 0
8 9 2 0
9 10 1 0
10 11 2 0
9 12 1 0
12 13 1 0
13 14 2 0
13 15 1 0
15 16 2 0
16 17 1 0
17 18 2 0
18 19 1 0
19 20 2 0
18 21 1 0
21 22 1 0
22 23 1 0
23 24 1 0
24 25 1 0
25 26 2 0
25 27 1 0
27 28 2 3
11 6 1 0
20 15 1 0
1 29 1 0
1 30 1 0
1 31 1 0
2 32 1 0
2 33 1 0
3 34 1 0
3 35 1 0
4 36 1 0
4 37 1 0
7 38 1 0
8 39 1 0
10 40 1 0
11 41 1 0
16 42 1 0
17 43 1 0
19 44 1 0
20 45 1 0
22 46 1 0
22 47 1 0
23 48 1 0
23 49 1 0
27 50 1 0
28 51 1 0
28 52 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers