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
-7.5833 -1.4381 0.1299 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.5952 -0.1212 -0.6149 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.0320 0.9953 0.2437 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6052 0.7116 0.6505 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8340 0.5928 -0.5242 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4635 0.3265 -0.3854 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7253 0.2142 -1.5671 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3826 -0.0465 -1.4364 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7459 -0.1987 -0.2192 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5308 -0.0761 0.9078 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8816 0.1843 0.8537 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6287 -0.4646 -0.1271 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5006 0.6126 -0.0545 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0578 1.7805 -0.0717 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9614 0.3858 0.0440 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8090 1.4642 0.1150 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1642 1.2353 0.2062 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6792 -0.0388 0.2272 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8267 -1.1156 0.1559 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4743 -0.8873 0.0649 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0262 -0.2512 0.3179 O 0 0 0 0 0 0 0 0 0 0 0 0
7.8917 -0.3625 -0.7596 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4251 -0.2640 -1.9116 O 0 0 0 0 0 0 0 0 0 0 0 0
9.3019 -0.5887 -0.4905 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7530 -0.6867 0.7457 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.1250 -1.3834 1.0962 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.9825 -2.2174 -0.5237 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5063 -1.6833 0.3138 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.6252 0.1703 -0.8909 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.9788 -0.2366 -1.5111 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0036 1.9030 -0.4083 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.6708 1.1508 1.1401 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2509 1.6310 1.1907 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5083 -0.1685 1.2964 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2189 0.3328 -2.5322 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7880 -0.1382 -2.3363 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0666 -0.1892 1.8809 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5134 0.2839 1.7250 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4045 2.4891 0.0988 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8257 2.1009 0.2618 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2351 -2.1381 0.1724 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7899 -1.7389 0.0078 H 0 0 0 0 0 0 0 0 0 0 0 0
9.9686 -0.6741 -1.3346 H 0 0 0 0 0 0 0 0 0 0 0 0
9.0936 -0.6026 1.5966 H 0 0 0 0 0 0 0 0 0 0 0 0
10.8002 -0.8547 0.9472 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