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
-7.3702 -1.5457 0.3065 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.8766 -0.2258 -0.2483 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.2763 0.5412 0.9420 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7518 1.8689 0.5192 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7665 1.9125 -0.4182 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4948 1.4443 -0.3518 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0066 0.8467 0.7822 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6850 0.3725 0.8056 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8523 0.4848 -0.2725 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3496 1.0840 -1.3996 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6434 1.5653 -1.4689 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4309 0.0111 -0.2148 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4973 0.7795 0.2036 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2591 1.9664 0.5432 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8638 0.2767 0.2656 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1839 -1.0143 -0.0938 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5025 -1.4592 -0.0211 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5247 -0.6389 0.4067 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1992 0.6524 0.7653 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8882 1.0928 0.6924 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7975 -1.1428 0.4531 O 0 0 0 0 0 0 0 0 0 0 0 0
7.6720 -1.0652 -0.6281 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2296 -0.5021 -1.6634 O 0 0 0 0 0 0 0 0 0 0 0 0
9.0086 -1.6129 -0.5310 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3914 -2.1851 0.5877 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.6095 -2.3301 0.3160 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.7001 -1.3835 1.3596 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.2847 -1.8988 -0.2319 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1248 -0.3513 -1.0331 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.7455 0.2983 -0.6612 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6168 -0.1533 1.4325 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.1343 0.7457 1.6382 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6494 2.4762 0.2189 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3853 2.3743 1.4692 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5643 0.7230 1.6944 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3407 -0.0949 1.7254 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6907 1.1815 -2.2745 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0641 2.0367 -2.3280 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3919 -1.6610 -0.4288 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7263 -2.4881 -0.3126 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9576 1.3258 1.1034 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6136 2.1126 0.9728 H 0 0 0 0 0 0 0 0 0 0 0 0
9.6670 -1.5434 -1.3742 H 0 0 0 0 0 0 0 0 0 0 0 0
10.4042 -2.5982 0.6564 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7738 -2.2784 1.4525 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