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
   -7.6491   -0.2179   -1.4997 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4266   -1.3539   -0.5480 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0636   -1.2716    0.1212 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9661    0.0177    0.8890 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7909    0.2446    1.5496 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5037    0.4072    1.1654 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0601    0.3940   -0.1276 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7049    0.5673   -0.4450 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7803    0.7569    0.5412 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2288    0.7706    1.8438 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5530    0.6022    2.1736 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5874    0.9340    0.2587 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4464   -0.1572    0.1859 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9298   -1.2863    0.3852 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8655   -0.0136   -0.1037 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4620    1.2069   -0.3265 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8079    1.3353   -0.6005 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5708    0.1931   -0.6500 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0114   -1.0527   -0.4322 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6585   -1.1361   -0.1608 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9327    0.2221   -0.9184 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8540    0.3393    0.1199 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3576    0.4145    1.2895 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2863    0.3746   -0.1026 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7989    0.2973   -1.3066 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1860   -0.5876   -2.4160 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6777    0.2409   -1.7668 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2831    0.5773   -1.0612 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1842   -1.3162    0.2699 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5536   -2.3294   -1.0423 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0796   -2.1070    0.8849 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2707   -1.4371   -0.6033 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2576    0.8231    0.1692 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7868   -0.0475    1.6722 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7636    0.2605   -0.9425 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3907    0.5504   -1.4804 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4751    0.9235    2.6145 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8894    0.6164    3.2159 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8393    2.0824   -0.2812 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2996    2.2817   -0.7790 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6198   -1.9696   -0.4711 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2724   -2.1394    0.0020 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9414    0.4663    0.7399 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8525    0.3190   -1.5236 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1310    0.2042   -2.1614 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