Monomers
4-Butoxyphenyl 4-(acryloyloxy)benzoate
Identifiers
IUPAC name
(4-butoxyphenyl) 4-prop-2-enoyloxybenzoate
InchI
InChI=1S/C20H20O5/c1-3-5-14-23-16-10-12-18(13-11-16)25-20(22)15-6-8-17(9-7-15)24-19(21)4-2/h4,6-13H,2-3,5,14H2,1H3
InchI Key
ICITWMHLOOTUIT-UHFFFAOYSA-N
SMILES
CCCCOc1ccc(cc1)OC(=O)c1ccc(cc1)OC(=O)C=C
Canonical SMILES
CCCCOC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)OC(=O)C=C
Isomeric SMILES
CCCCOC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)OC(=O)C=C
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C20H20O5
Heavy Atom Count
25
Molecular Weight
340.375
Exact Molecular Weight
340.1311
Valence Electrons
130
Radical Electrons
0
tPSA
61.83
MolLogP
4.1761
H Bond Acceptors
5
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
45 46 0 0 0 0 0 0 0 0999 V2000
-8.7332 0.6559 1.6364 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.3177 0.1486 1.5220 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.0591 -0.4351 0.1306 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6179 -0.9169 0.1084 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8032 0.1862 0.3607 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4076 0.1100 0.4141 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6437 1.2291 0.6669 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2554 1.1527 0.7198 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6223 -0.0349 0.5219 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3686 -1.1664 0.2676 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7524 -1.0849 0.2159 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7569 -0.1924 0.5588 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5621 -0.0555 -0.5750 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9646 0.2212 -1.6440 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9961 -0.2177 -0.5437 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6450 -0.5198 0.6279 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0400 -0.6679 0.6092 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7625 -0.5161 -0.5566 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0996 -0.2123 -1.7293 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7126 -0.0664 -1.7039 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1402 -0.6805 -0.4831 O 0 0 0 0 0 0 0 0 0 0 0 0
8.0199 0.3615 -0.2210 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5274 1.4925 -0.0461 O 0 0 0 0 0 0 0 0 0 0 0 0
9.4563 0.1840 -0.1455 C 0 0 0 0 0 0 0 0 0 0 0 0
10.2167 1.2306 0.1083 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.7927 1.6224 2.1776 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.0822 0.8517 0.5811 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.4028 -0.1186 2.0299 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.2435 -0.7401 2.2154 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5550 0.9066 1.7683 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.2235 0.3904 -0.5921 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.7029 -1.2870 -0.0798 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3756 -1.4560 -0.8158 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4907 -1.6317 0.9447 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1146 2.1799 0.8271 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6443 2.0332 0.9192 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8804 -2.1349 0.1050 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3486 -1.9758 0.0153 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0899 -0.6426 1.5543 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5619 -0.9063 1.5288 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6674 -0.0948 -2.6363 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1876 0.1729 -2.6252 H 0 0 0 0 0 0 0 0 0 0 0 0
9.9458 -0.7683 -0.2869 H 0 0 0 0 0 0 0 0 0 0 0 0
11.2992 1.1682 0.1786 H 0 0 0 0 0 0 0 0 0 0 0 0
9.7858 2.2254 0.2622 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 2 0
22 24 1 0
24 25 2 3
11 6 1 0
20 15 1 0
1 26 1 0
1 27 1 0
1 28 1 0
2 29 1 0
2 30 1 0
3 31 1 0
3 32 1 0
4 33 1 0
4 34 1 0
7 35 1 0
8 36 1 0
10 37 1 0
11 38 1 0
16 39 1 0
17 40 1 0
19 41 1 0
20 42 1 0
24 43 1 0
25 44 1 0
25 45 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers