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
   -7.4945   -0.5623   -2.2949 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2538    0.5523   -1.3069 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1969    0.0548   -0.3253 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8731    1.0794    0.7083 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9142    0.6642    1.5931 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6045    0.4034    1.3317 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9770    0.5527    0.1166 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6213    0.2493   -0.0501 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8602   -0.2109    1.0006 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5175   -0.3477    2.2026 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8328   -0.0672    2.4162 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4826   -0.5080    0.8220 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4912    0.4337    1.0045 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1306    1.5780    1.3419 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8987    0.1139    0.8151 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8339    1.1022    1.0157 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1958    0.8433    0.8461 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6453   -0.4050    0.4740 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6977   -1.3846    0.2767 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3410   -1.1346    0.4434 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9978   -0.6517    0.3084 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6643   -0.4880   -0.8860 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0103   -0.0924   -1.8841 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0961   -0.7541   -1.0422 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7355   -0.6024   -2.1671 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4648   -0.4056   -2.8187 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6480   -0.5894   -3.0062 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5021   -1.5322   -1.7424 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1729    0.8337   -0.7812 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7884    1.3946   -1.8595 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7121   -0.8267    0.1917 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3252   -0.2709   -0.8727 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5164    1.9966    0.1664 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8245    1.3218    1.2564 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4963    0.9348   -0.7399 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1430    0.3746   -1.0263 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9312   -0.7090    3.0409 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3198   -0.1907    3.3941 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5653    2.1231    1.3129 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9394    1.6195    1.0030 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0312   -2.3766   -0.0174 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6195   -1.9421    0.2764 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6211   -1.0919   -0.1622 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7916   -0.8181   -2.2065 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2017   -0.2637   -3.0433 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