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
    7.4524    1.4475   -1.0239 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6028   -0.0531   -0.8058 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1630   -0.3166    0.6257 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7252    0.1177    0.8011 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9245   -0.6236   -0.0939 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5530   -0.4182   -0.1374 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9014    0.4996    0.6700 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5230    0.6541    0.5738 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7783   -0.0898   -0.3136 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4465   -0.9961   -1.1063 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8059   -1.1478   -1.0107 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5958    0.0064   -0.4678 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4616   -0.7587    0.2593 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9666   -1.5720    1.0919 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9201   -0.6869    0.1259 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7612   -1.4760    0.8782 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1341   -1.4075    0.7518 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7388   -0.5425   -0.1373 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8917    0.2460   -0.8887 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5193    0.1783   -0.7631 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1210   -0.4673   -0.2707 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8925    0.4020    0.4886 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2862    1.1312    1.3153 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3196    0.4831    0.3545 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0498    1.2986    1.0659 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1493    1.8298   -1.7775 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6989    1.9775   -0.0617 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4079    1.7019   -1.2500 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6485   -0.3847   -0.9625 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9619   -0.5765   -1.5336 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7627    0.2478    1.3506 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2792   -1.3827    0.8434 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6105    1.2023    0.6915 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4203   -0.1768    1.8280 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4658    1.0930    1.3724 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9892    1.3628    1.1917 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9060   -1.6146   -1.8297 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2856   -1.8679   -1.6501 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3073   -2.1677    1.5879 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7981   -2.0418    1.3570 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3430    0.9385   -1.5990 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8581    0.8071   -1.3629 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8202   -0.1576   -0.3670 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5555    1.9362    1.7833 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1216    1.3648    0.9704 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