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
7.4025 1.1868 1.1350 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8360 0.9464 -0.2351 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4207 -0.5088 -0.3450 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8518 -0.7581 -1.7153 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7567 -0.0263 -2.0796 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4908 0.0652 -1.5821 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0089 -0.6440 -0.5117 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6954 -0.4962 -0.0546 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8304 0.3677 -0.6607 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2940 1.0911 -1.7398 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5851 0.9504 -2.1943 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4899 0.5438 -0.2337 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5442 -0.1888 -0.7017 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3132 -1.0713 -1.5655 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9241 -0.0177 -0.2673 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9326 -0.7993 -0.7899 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2516 -0.6637 -0.4006 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6061 0.2800 0.5445 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6092 1.0677 1.0751 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2969 0.9185 0.6746 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.9290 0.4321 0.9499 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.4201 -0.2939 2.0195 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.6331 -1.0827 2.5985 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.7797 -0.1934 2.5018 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.6487 0.6181 1.9324 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9501 0.4410 1.8358 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0871 2.1850 1.4920 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5187 1.1325 1.1417 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0148 1.6383 -0.4144 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6041 1.1076 -1.0246 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3992 -1.0893 -0.3339 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8560 -0.8829 0.4959 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6882 -0.4768 -2.4316 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7457 -1.8594 -1.8867 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6474 -1.3427 -0.0089 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3614 -1.0802 0.7973 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5878 1.7779 -2.2131 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9419 1.5154 -3.0346 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6856 -1.5455 -1.5306 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9905 -1.3099 -0.8516 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8761 1.8187 1.8242 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5200 1.5449 1.0997 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.0991 -0.7844 3.3370 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.6579 0.7080 2.2724 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.3671 1.2383 1.0795 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