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
-7.5872 -0.7769 0.6852 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.2155 -0.9213 1.2796 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8300 0.4542 1.8324 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8319 1.4400 0.7139 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9817 1.1951 -0.3293 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6438 1.1390 -0.3716 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8300 1.3570 0.6988 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4299 1.2807 0.5942 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8895 0.9777 -0.6295 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6914 0.7535 -1.7280 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0540 0.8327 -1.6033 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4884 0.8914 -0.7811 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1439 -0.3161 -0.5976 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4867 -1.3239 -0.2956 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5966 -0.3873 -0.7619 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2870 -1.5681 -0.5905 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6740 -1.6210 -0.7509 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3995 -0.4975 -1.0852 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7023 0.6804 -1.2552 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3297 0.7308 -1.0961 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7866 -0.5592 -1.2437 O 0 0 0 0 0 0 0 0 0 0 0 0
7.6541 -0.3520 -0.1809 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1104 -0.1052 0.9336 O 0 0 0 0 0 0 0 0 0 0 0 0
9.0990 -0.4096 -0.3140 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8786 -0.2057 0.7254 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.4953 -0.4498 -0.3760 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.1976 -0.0635 1.2880 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.1507 -1.7363 0.6939 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4554 -1.1934 0.5298 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2074 -1.6351 2.1299 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6625 0.7727 2.5265 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9477 0.3913 2.4518 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.9096 1.5224 0.3799 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6492 2.4496 1.2018 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2139 1.6136 1.6661 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8102 1.4559 1.4520 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2363 0.5138 -2.6918 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6446 0.6499 -2.4892 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7376 -2.4583 -0.3286 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2207 -2.5533 -0.6159 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2696 1.5626 -1.5174 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7670 1.6580 -1.2279 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5670 -0.6193 -1.2601 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4166 0.0049 1.6769 H 0 0 0 0 0 0 0 0 0 0 0 0
10.9502 -0.2409 0.6614 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