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
9.9152 0.8963 -0.8813 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7213 1.8051 -0.7460 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5839 0.9297 -0.1637 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3315 -0.1931 -1.1421 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3435 -1.0751 -0.7954 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0210 -0.8668 -0.6409 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3587 0.3082 -0.8248 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9723 0.4520 -0.6435 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2248 -0.6181 -0.2664 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8730 -1.8217 -0.0744 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2273 -1.9698 -0.2483 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8692 -0.5676 -0.0710 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2042 -0.3171 1.0952 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9160 -0.0944 2.1155 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2448 -0.2870 1.2621 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1088 -0.5231 0.1999 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4735 -0.5307 0.3304 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0164 -0.2876 1.5997 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1688 -0.0425 2.6960 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8196 -0.0520 2.4863 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3180 -0.2965 1.7544 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.5322 -0.4138 1.3573 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.0899 0.5596 0.2877 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.4607 0.1128 0.1110 O 0 0 0 0 0 0 0 0 0 0 0 0
-9.3415 0.7103 -0.7237 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.9700 1.7209 -1.3999 O 0 0 0 0 0 0 0 0 0 0 0 0
-10.7512 0.2566 -0.9141 C 0 0 0 0 0 0 0 0 0 0 0 0
-11.2366 -0.7762 -0.2825 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8903 0.1357 -0.0430 H 0 0 0 0 0 0 0 0 0 0 0 0
10.8394 1.5143 -0.7901 H 0 0 0 0 0 0 0 0 0 0 0 0
9.9301 0.3475 -1.8158 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9196 2.6210 -0.0212 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3108 2.1630 -1.7166 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7443 1.5764 0.0589 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0360 0.5122 0.7794 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1128 0.3269 -2.1361 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3086 -0.7345 -1.3538 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8704 1.1967 -1.1430 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5212 1.4074 -0.8000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2653 -2.6897 0.2279 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7435 -2.9092 -0.0974 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6685 -0.7067 -0.7684 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0962 -0.7159 -0.5221 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6306 0.1455 3.6736 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1698 0.1347 3.3330 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8665 -1.4247 0.9329 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.2596 -0.3471 2.2590 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0440 1.5677 0.6908 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5045 0.4857 -0.6253 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.3885 0.8050 -1.5899 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.6366 -1.3511 0.4089 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.2572 -1.0790 -0.4238 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