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
-8.9101 0.5129 -1.3935 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.9597 -0.7259 -0.5335 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.6266 -0.8850 0.1810 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.3898 0.3317 1.0381 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.2183 0.2684 1.7092 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.8984 0.2408 1.3646 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4014 0.3072 0.0868 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0258 0.2671 -0.1734 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1011 0.1603 0.8342 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5834 0.0937 2.1217 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9280 0.1318 2.3853 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7434 0.1222 0.5558 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0165 1.2806 0.4898 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5755 2.3711 0.6929 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4470 1.2666 0.1986 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0714 0.0682 -0.0193 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4413 0.0782 -0.2965 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1864 1.2087 -0.3606 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4913 2.4139 -0.1284 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1527 2.4310 0.1440 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5119 1.2958 -0.6181 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3935 0.2629 -0.8378 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6348 -0.6751 0.3025 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5526 -1.6717 -0.0922 O 0 0 0 0 0 0 0 0 0 0 0 0
8.8469 -1.4717 -0.4934 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2980 -0.3123 -0.5242 O 0 0 0 0 0 0 0 0 0 0 0 0
9.6566 -2.6339 -0.8731 C 0 0 0 0 0 0 0 0 0 0 0 0
10.8995 -2.4141 -1.2556 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.4978 0.3591 -2.3148 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.8568 0.7826 -1.6047 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.3911 1.3293 -0.8163 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.7673 -0.7247 0.2039 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.0746 -1.6240 -1.1838 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8238 -0.9960 -0.5422 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.6861 -1.7633 0.8676 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.4619 1.2590 0.4023 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.2182 0.4225 1.8085 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0953 0.4156 -0.7549 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6891 0.3220 -1.1967 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8374 0.0096 2.9100 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3019 0.0793 3.3957 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5291 -0.8582 0.0202 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8898 -0.8837 -0.4853 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0333 3.3469 -0.1674 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6122 3.3675 0.3245 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3599 0.7035 -1.1985 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0838 -0.3992 -1.7074 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7460 -1.1272 0.7521 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0828 -0.0417 1.1320 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2534 -3.6297 -0.8415 H 0 0 0 0 0 0 0 0 0 0 0 0
11.5433 -3.2400 -1.5477 H 0 0 0 0 0 0 0 0 0 0 0 0
11.3291 -1.4328 -1.2972 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