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
   -6.8843    0.0976   -1.6922 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5595   -0.4791   -0.3531 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1551    0.5888    0.6613 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8643   -0.1497    1.9414 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8531   -1.0796    1.8535 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5347   -0.8350    1.6228 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6975   -1.9710    1.5302 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3517   -1.8232    1.3025 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7865   -0.5796    1.1597 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5625    0.5408    1.2436 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9358    0.3863    1.4768 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5619   -0.4702    0.9324 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1624   -0.4506   -0.2941 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4553   -0.5377   -1.3250 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6159   -0.3306   -0.4541 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4530   -0.2306    0.6406 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8069   -0.1204    0.4290 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4029   -0.1017   -0.8134 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5463   -0.2030   -1.8974 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1754   -0.3156   -1.7226 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7818    0.0129   -0.9370 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4356    1.2364   -1.0349 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7205    2.2621   -1.0071 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8811    1.3489   -1.1642 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6463    0.2680   -1.1944 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1487    1.1721   -1.6596 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0674   -0.0065   -2.4359 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7638   -0.4702   -2.1013 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7340   -1.1947   -0.4589 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4179   -1.0301    0.0991 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3426    1.1830    0.3059 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0364    1.2601    0.8557 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8288   -0.6076    2.3457 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6427    0.6508    2.7156 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1546   -2.9546    1.6448 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7230   -2.7227    1.2348 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1633    1.5354    1.1381 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5489    1.2824    1.5742 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9870   -0.2452    1.6159 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4339   -0.0435    1.3293 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9767   -0.1918   -2.8826 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5180   -0.3940   -2.5771 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3036    2.3408   -1.2342 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1818   -0.6889   -1.1219 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7108    0.4159   -1.2918 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