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
   -8.4532    0.1432    0.8736 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7136   -0.4172   -0.3079 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3469    0.2657   -0.4780 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7117   -0.3667   -1.6696 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4716    0.0681   -2.0455 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2523    0.0807   -1.4762 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9397   -0.4137   -0.2431 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6237   -0.3359    0.2372 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6091    0.2314   -0.5010 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9235    0.7247   -1.7339 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2034    0.6512   -2.2050 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6882    0.2923    0.0069 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6081   -0.7229   -0.2051 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2861   -1.7372   -0.8714 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9672   -0.6615    0.3257 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3797    0.4416    1.0731 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6659    0.4754    1.5624 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5510   -0.5586    1.3274 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1517   -1.6533    0.5893 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8643   -1.6822    0.1023 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8392   -0.4997    1.8309 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8266    0.0870    1.0355 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5106    0.5317   -0.0898 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1974    0.1754    1.5152 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1108    0.7357    0.7411 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3161   -0.5756    1.7198 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5415    0.2446    0.6889 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0899    1.1640    1.1595 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5398   -1.5068   -0.2421 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3348   -0.2396   -1.2100 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7845    0.1281    0.4552 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4872    1.3640   -0.5903 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7242   -1.4700   -1.4883 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4162   -0.1971   -2.5457 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7052   -0.8751    0.3607 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3783   -0.7273    1.2133 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1297    1.1774   -2.3312 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4388    1.0434   -3.1781 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6555    1.2240    1.2310 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9584    1.3392    2.1365 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8651   -2.4532    0.4180 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5657   -2.5502   -0.4763 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4491   -0.2110    2.4816 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8446    1.1227   -0.2340 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1496    0.8334    1.0374 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