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
-7.6491 -0.2179 -1.4997 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.4266 -1.3539 -0.5480 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0636 -1.2716 0.1212 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.9661 0.0177 0.8890 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7909 0.2446 1.5496 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5037 0.4072 1.1654 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0601 0.3940 -0.1276 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7049 0.5673 -0.4450 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7803 0.7569 0.5412 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2288 0.7706 1.8438 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5530 0.6022 2.1736 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5874 0.9340 0.2587 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4464 -0.1572 0.1859 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9298 -1.2863 0.3852 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8655 -0.0136 -0.1037 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4620 1.2069 -0.3265 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8079 1.3353 -0.6005 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5708 0.1931 -0.6500 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0114 -1.0527 -0.4322 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6585 -1.1361 -0.1608 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9327 0.2221 -0.9184 O 0 0 0 0 0 0 0 0 0 0 0 0
7.8540 0.3393 0.1199 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3576 0.4145 1.2895 O 0 0 0 0 0 0 0 0 0 0 0 0
9.2863 0.3746 -0.1026 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7989 0.2973 -1.3066 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.1860 -0.5876 -2.4160 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6777 0.2409 -1.7668 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.2831 0.5773 -1.0612 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.1842 -1.3162 0.2699 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.5536 -2.3294 -1.0423 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0796 -2.1070 0.8849 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2707 -1.4371 -0.6033 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2576 0.8231 0.1692 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7868 -0.0475 1.6722 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7636 0.2605 -0.9425 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3907 0.5504 -1.4804 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4751 0.9235 2.6145 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8894 0.6164 3.2159 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8393 2.0824 -0.2812 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2996 2.2817 -0.7790 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6198 -1.9696 -0.4711 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2724 -2.1394 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0
9.9414 0.4663 0.7399 H 0 0 0 0 0 0 0 0 0 0 0 0
10.8525 0.3190 -1.5236 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1310 0.2042 -2.1614 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