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
-6.9007 -0.2691 1.5060 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.7578 -1.2976 0.8640 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.2481 -1.8876 -0.4085 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.0356 -0.9094 -1.5192 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.1244 0.0532 -1.2196 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.8293 0.1410 -0.9300 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2937 1.4073 -0.6593 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9579 1.5550 -0.3553 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1123 0.4791 -0.3070 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6099 -0.7728 -0.5681 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9571 -0.9006 -0.8723 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7797 0.7052 0.0062 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1760 0.9679 -0.9818 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2494 0.9857 -2.1647 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5723 1.2044 -0.6494 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4508 1.4557 -1.6748 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7779 1.6835 -1.4019 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3057 1.6748 -0.1009 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4059 1.4228 0.8975 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0599 1.1906 0.6288 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6222 1.9128 0.0629 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3852 1.9321 1.1910 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4946 0.6075 1.8871 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0963 -0.2839 0.9244 O 0 0 0 0 0 0 0 0 0 0 0 0
7.3302 -1.6073 1.2826 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9976 -1.9516 2.4422 O 0 0 0 0 0 0 0 0 0 0 0 0
7.9408 -2.5583 0.3404 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2877 -2.1872 -0.8783 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.9425 0.6763 0.9473 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.3474 -0.0646 2.5269 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8545 -0.5740 1.6590 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.7650 -0.8485 0.6953 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.9292 -2.1235 1.5962 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.0462 -2.6001 -0.7736 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3430 -2.4953 -0.2581 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.0299 -0.4691 -1.8501 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7215 -1.4882 -2.4495 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9766 2.2401 -0.7028 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5656 2.5517 -0.1485 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9204 -1.6025 -0.5228 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2832 -1.9007 -1.0788 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1225 1.4812 -2.7252 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4453 1.8778 -2.2225 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7077 1.4171 1.9418 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3961 0.9973 1.4450 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9247 2.6403 1.9467 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4026 2.3638 0.9748 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1519 0.6657 2.7881 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5535 0.1686 2.1774 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0955 -3.5700 0.6794 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7332 -2.9114 -1.5429 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1446 -1.1852 -1.2415 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