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
-8.2302 -2.5499 -1.9897 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.2727 -1.4194 -2.1878 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.4789 -0.2803 -1.2296 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.3318 -0.6465 0.2008 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.1375 -1.1586 0.6264 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.8738 -0.7565 0.6924 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4276 0.4605 0.2901 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1104 0.8528 0.3676 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1883 -0.0235 0.8775 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6035 -1.2662 1.2958 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9267 -1.6443 1.2114 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8671 0.3423 0.9663 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0400 0.0753 -0.1072 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4843 -0.4827 -1.1272 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3544 0.4510 -0.0373 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8630 1.0718 1.0892 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1973 1.4183 1.1267 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0499 1.1651 0.0704 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5087 0.5456 -1.0345 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1703 0.1787 -1.1162 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3844 1.5202 0.1271 O 0 0 0 0 0 0 0 0 0 0 0 0
5.8796 2.1470 1.2734 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3297 2.4932 1.2480 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2060 1.4222 1.0926 O 0 0 0 0 0 0 0 0 0 0 0 0
8.3158 0.5585 0.0332 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5559 0.7114 -0.9502 O 0 0 0 0 0 0 0 0 0 0 0 0
9.2931 -0.5377 0.0143 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3877 -1.3596 -1.0094 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.0320 -3.2997 -2.7840 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.1048 -3.0763 -1.0278 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.2807 -2.2131 -2.1522 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2334 -1.7959 -2.1913 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.4501 -1.0126 -3.2135 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.5551 0.0530 -1.3605 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8816 0.5805 -1.4902 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.4791 0.3265 0.7725 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.2273 -1.2439 0.5666 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1085 1.1912 -0.1107 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8090 1.8621 0.0215 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8570 -1.9651 1.7046 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1795 -2.6339 1.5583 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2291 1.2840 1.9290 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6114 1.9115 2.0166 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1553 0.3364 -1.8746 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7701 -0.3091 -2.0007 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2577 3.0243 1.5714 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7281 1.4195 2.1266 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5965 2.9648 2.2424 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5558 3.3139 0.5125 H 0 0 0 0 0 0 0 0 0 0 0 0
9.9334 -0.6456 0.8728 H 0 0 0 0 0 0 0 0 0 0 0 0
10.1182 -2.1455 -0.9759 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7194 -1.2157 -1.8607 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