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
9.6122 0.8871 -1.6780 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4735 -0.6058 -1.8356 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4915 -1.1004 -0.8101 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1333 -0.4548 -0.9863 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2600 -0.9442 -0.0159 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9478 -0.5994 0.1505 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2286 -1.1881 1.1706 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9070 -0.8812 1.3867 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2667 0.0375 0.5719 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9716 0.6299 -0.4466 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3111 0.3009 -0.6443 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9338 0.3790 0.7520 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1244 -0.2463 0.1493 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0970 -1.2064 -0.6326 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4976 0.1858 0.4019 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5831 -0.4211 -0.1922 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8755 0.0322 0.0855 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1140 1.0825 0.9465 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0191 1.6797 1.5333 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7424 1.2352 1.2617 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4174 1.5270 1.2158 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.5421 0.9129 0.6116 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.7655 1.6117 1.1011 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.9495 1.0703 0.5526 O 0 0 0 0 0 0 0 0 0 0 0 0
-9.3282 -0.2461 0.7339 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.5956 -1.0010 1.4139 O 0 0 0 0 0 0 0 0 0 0 0 0
-10.5429 -0.7687 0.1603 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.8807 -2.0275 0.3476 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0954 1.4429 -2.4883 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2208 1.2071 -0.7003 H 0 0 0 0 0 0 0 0 0 0 0 0
10.6894 1.1887 -1.7098 H 0 0 0 0 0 0 0 0 0 0 0 0
10.4596 -1.0830 -1.6142 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1750 -0.8729 -2.8751 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3917 -2.1989 -0.9312 H 0 0 0 0 0 0 0 0 0 0 0 0
8.8908 -0.8089 0.1869 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7255 -0.7410 -1.9964 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2307 0.6457 -1.0063 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7022 -1.9093 1.8232 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3235 -1.3409 2.1926 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5319 1.3574 -1.1221 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8393 0.7798 -1.4497 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4350 -1.2420 -0.8680 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7399 -0.4396 -0.3778 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1992 2.5026 2.2088 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8685 1.7115 1.7299 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.4509 1.1555 -0.4886 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5374 -0.1740 0.7052 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.8223 1.4737 2.2005 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.6701 2.6825 0.8639 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.1787 -0.1168 -0.4281 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.7865 -2.4300 -0.0760 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.2434 -2.6711 0.9341 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