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
9.8734 -0.4647 -2.1737 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5827 -0.6333 -1.4408 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4103 0.3490 -0.3007 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0571 0.0410 0.3315 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0587 0.2078 -0.6465 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7099 0.0110 -0.4197 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8685 0.2225 -1.5042 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5023 0.0434 -1.3489 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9459 -0.3399 -0.1476 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8015 -0.5433 0.9123 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1791 -0.3685 0.7772 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5866 -0.5292 0.0476 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2726 0.4733 0.4586 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2028 1.6151 0.6663 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6979 0.2737 0.6628 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2172 -0.9892 0.4316 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5655 -1.1599 0.6291 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4013 -0.1451 1.0391 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8668 1.1121 1.2662 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5194 1.2970 1.0725 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7526 -0.3949 1.2169 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.6820 0.5596 1.6282 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.0411 -0.1326 1.6934 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.4427 -0.6565 0.4647 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.6203 0.1289 -0.6514 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.4184 1.3615 -0.5791 O 0 0 0 0 0 0 0 0 0 0 0 0
-9.0380 -0.4664 -1.9019 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.2221 0.2478 -3.0030 C 0 0 0 0 0 0 0 0 0 0 0 0
9.6658 -0.4908 -3.2759 H 0 0 0 0 0 0 0 0 0 0 0 0
10.4601 0.4098 -1.8841 H 0 0 0 0 0 0 0 0 0 0 0 0
10.5385 -1.3571 -1.9891 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5378 -1.6519 -0.9738 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7313 -0.5344 -2.1148 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2343 0.2044 0.4272 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4242 1.3995 -0.6466 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0523 -0.9292 0.8226 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8744 0.8104 1.1114 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2770 0.5259 -2.4675 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8660 0.2120 -2.2010 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3799 -0.8459 1.8674 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8138 -0.5323 1.6108 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5598 -1.7908 0.1082 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9748 -2.1489 0.4486 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5423 1.8922 1.5872 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1108 2.2785 1.2512 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.4813 0.9223 2.6788 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7138 1.4700 1.0125 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.8785 -1.0130 2.3814 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.8052 0.5183 2.1649 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.2046 -1.5342 -1.9337 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.5346 -0.2439 -3.9123 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.0707 1.3085 -3.0252 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