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
7.8776 1.0295 2.2490 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4951 0.9868 0.8004 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2623 0.1100 0.6287 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8696 0.0598 -0.8172 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7537 -0.7143 -1.0451 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4679 -0.5912 -0.6564 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5861 -1.6211 -1.0618 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2600 -1.5807 -0.7164 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7472 -0.5398 0.0331 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6127 0.4518 0.4188 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9584 0.4416 0.0864 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6020 -0.5374 0.3618 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5188 0.0690 -0.4823 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0694 0.6018 -1.5331 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9454 0.1070 -0.1974 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8026 0.7245 -1.0758 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1447 0.7745 -0.8329 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6338 0.1883 0.3221 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7612 -0.4309 1.1995 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4034 -0.4750 0.9425 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.9857 0.1954 0.6430 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.8670 -0.7999 0.2532 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.3940 -1.7449 -0.4237 O 0 0 0 0 0 0 0 0 0 0 0 0
-9.2863 -0.7634 0.6076 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.8177 0.2028 1.3108 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7814 0.4129 2.4265 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1383 2.0956 2.5072 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0437 0.6632 2.8901 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3285 0.5463 0.1936 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3058 1.9959 0.3942 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4952 -0.9412 0.9676 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4704 0.4642 1.2731 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7274 -0.4117 -1.3727 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7798 1.0921 -1.2466 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9711 -2.4269 -1.6391 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5698 -2.3795 -1.0293 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1964 1.2696 1.0110 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5560 1.2707 0.4149 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3957 1.1762 -1.9731 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8285 1.2520 -1.5069 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0990 -0.9015 2.1134 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6968 -0.9609 1.6256 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.9203 -1.5683 0.2739 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.8621 0.1841 1.5442 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.2199 1.0228 1.6620 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