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
-8.8521 1.9954 -0.9295 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.4022 1.9814 -0.5580 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.7273 0.8642 -1.3396 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2675 0.8720 -0.9468 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5597 -0.1341 -1.6242 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1997 -0.2648 -1.3768 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4434 -1.2331 -2.0089 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1036 -1.4103 -1.8069 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4542 -0.5723 -0.9149 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1809 0.4196 -0.2548 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5344 0.5744 -0.4797 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8848 -0.6539 -0.6310 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4401 -1.4154 0.3646 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6946 -2.0978 1.0845 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8968 -1.3928 0.5390 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5319 -2.1315 1.5180 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9141 -2.1061 1.6788 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6903 -1.3275 0.8471 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0730 -0.5902 -0.1278 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6973 -0.6238 -0.2778 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0699 -1.2891 0.9918 O 0 0 0 0 0 0 0 0 0 0 0 0
7.7388 -0.3926 1.7979 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0654 0.4467 2.4466 O 0 0 0 0 0 0 0 0 0 0 0 0
9.1941 -0.4306 1.8847 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8190 0.4319 2.6588 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.5019 2.3754 -0.1273 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.9814 2.5888 -1.8666 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.1424 0.9434 -1.1991 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8963 2.9230 -0.8365 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.2764 1.7232 0.5172 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.2123 -0.1137 -1.1066 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8310 1.0173 -2.4388 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2308 0.7484 0.1663 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8739 1.8821 -1.1772 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9475 -1.8904 -2.7071 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5083 -2.1750 -2.3066 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7052 1.0978 0.4539 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1400 1.3293 0.0089 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9448 -2.7530 2.1864 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4240 -2.6804 2.4422 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7123 0.0146 -0.7689 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2250 -0.0316 -1.0576 H 0 0 0 0 0 0 0 0 0 0 0 0
9.7516 -1.1482 1.3286 H 0 0 0 0 0 0 0 0 0 0 0 0
10.8944 0.3946 2.7152 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3100 1.1730 3.2385 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