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
    8.3239   -0.0408    1.1506 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0351   -0.2796    1.8905 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8855    0.2924    1.0474 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8415   -0.3890   -0.2856 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8646   -0.0017   -1.1605 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5067   -0.0779   -1.0807 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7843    0.4448   -2.1670 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4153    0.4221   -2.1992 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7304   -0.1297   -1.1345 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4124   -0.6465   -0.0632 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7800   -0.6129   -0.0536 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6544   -0.1758   -1.1200 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3936    0.8534   -0.5857 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7841    1.8409   -0.1088 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8497    0.8083   -0.5688 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5702    1.8525   -0.0275 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9666    1.7996   -0.0162 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6497    0.7250   -0.5345 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9121   -0.3088   -1.0711 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5190   -0.2766   -1.0927 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0352    0.6297   -0.5446 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7842    0.0736    0.4562 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1863   -0.3860    1.4594 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2480   -0.0149    0.4213 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8960   -0.5652    1.4252 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5989   -0.8896    0.4896 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1367    0.1019    1.8771 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2848    0.8769    0.5182 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8622   -1.3709    2.0381 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0304    0.1898    2.8868 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9489    0.3504    1.5985 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2021    1.3750    0.8948 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8510   -0.2674   -0.7874 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7637   -1.4987   -0.1312 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3131    0.8779   -3.0030 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8776    0.8300   -3.0453 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8690   -1.0879    0.7887 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3170   -1.0396    0.7932 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0686    2.7032    0.3839 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5591    2.6025    0.4011 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4090   -1.1832   -1.4945 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9451   -1.0902   -1.5148 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8229    0.3618   -0.4132 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9705   -0.6205    1.3803 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4106   -0.9699    2.3025 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