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
8.5543 -0.3901 -0.2714 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0437 0.3938 0.9067 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3002 0.0714 2.1835 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8351 0.3924 1.9796 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3487 -0.3942 0.9156 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0018 -0.2730 0.5342 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4910 -1.0311 -0.5075 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1720 -0.9182 -0.8875 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3408 -0.0389 -0.2255 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8501 0.7140 0.8098 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1756 0.6037 1.1952 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0173 0.1207 -0.5551 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0254 -0.5834 -0.0322 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2164 -1.4647 0.8316 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3858 -0.3050 -0.4788 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5946 0.6714 -1.4279 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8157 1.0046 -1.9065 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9512 0.3242 -1.4174 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7407 -0.6476 -0.4743 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4767 -0.9794 0.0096 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1309 0.7290 -1.9625 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.3985 0.2668 -1.6420 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.7799 0.6271 -0.2330 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.0666 0.1335 0.0593 O 0 0 0 0 0 0 0 0 0 0 0 0
-9.1729 0.5584 -0.6177 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.0846 1.4138 -1.5277 O 0 0 0 0 0 0 0 0 0 0 0 0
-10.5148 0.0279 -0.3053 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.6836 -0.8726 0.6378 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2577 -1.4079 0.0310 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7666 0.1405 -0.8615 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4083 -0.5201 -0.9916 H 0 0 0 0 0 0 0 0 0 0 0 0
10.1241 0.1510 1.1098 H 0 0 0 0 0 0 0 0 0 0 0 0
9.0135 1.4915 0.7243 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3820 -1.0347 2.3563 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7406 0.6049 3.0266 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6883 1.4784 1.8024 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2304 0.1234 2.8735 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1983 -1.7036 -0.9863 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8199 -1.5316 -1.7068 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2335 1.4213 1.3622 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5347 1.2150 2.0147 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7086 1.2091 -1.8159 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8960 1.7808 -2.6494 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6088 -1.2002 -0.1125 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3621 -1.7483 0.7502 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.1470 0.6247 -2.3863 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.4563 -0.8655 -1.7166 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0521 0.3544 0.5346 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8309 1.7754 -0.1496 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.3741 0.3753 -0.8500 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.8270 -1.2255 1.1880 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.6604 -1.2559 0.8621 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