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
-8.0740 2.5131 1.4582 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.9347 1.8085 2.1452 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.9574 1.1960 1.1569 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3822 2.2729 0.2892 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4697 1.8369 -0.6367 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2365 1.2717 -0.4626 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6199 1.0458 0.7362 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3835 0.4686 0.8194 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6754 0.0765 -0.3014 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2991 0.3065 -1.5067 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5336 0.8810 -1.6126 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5634 -0.5057 -0.2981 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7576 0.1995 -0.3695 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6529 1.4625 -0.4424 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0256 -0.4870 -0.3589 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0698 -1.8500 -0.2781 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2946 -2.5241 -0.2657 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4546 -1.7624 -0.3377 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4385 -0.3948 -0.4194 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1906 0.2290 -0.4284 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6473 -2.4912 -0.3208 O 0 0 0 0 0 0 0 0 0 0 0 0
7.2538 -2.9348 -1.4994 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6663 -2.6400 -2.5692 O 0 0 0 0 0 0 0 0 0 0 0 0
8.5012 -3.6975 -1.4744 C 0 0 0 0 0 0 0 0 0 0 0 0
9.1035 -3.9976 -0.3359 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.2699 2.0302 0.4909 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.9728 2.4209 2.0860 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.8698 3.6092 1.3659 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.4117 2.4861 2.8362 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.3700 0.9965 2.7816 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2106 0.6100 1.6747 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5732 0.5167 0.5087 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2465 2.7433 -0.2448 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8830 3.0240 0.9523 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0983 1.3453 1.6497 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9503 0.3169 1.7956 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8114 0.0276 -2.4543 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0043 1.0499 -2.5834 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1715 -2.4795 -0.2201 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2921 -3.5996 -0.2015 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3750 0.1244 -0.4723 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2157 1.3214 -0.4938 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9139 -4.0075 -2.4208 H 0 0 0 0 0 0 0 0 0 0 0 0
10.0115 -4.5538 -0.3317 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6383 -3.6558 0.5939 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