Monomers

1-(4-Vinylphenyl)-1-butanol

Identifiers

IUPAC name
1-(4-ethenylphenyl)butan-1-ol
InchI
InChI=1S/C12H16O/c1-3-5-12(13)11-8-6-10(4-2)7-9-11/h4,6-9,12-13H,2-3,5H2,1H3
InchI Key
LAKSAUHDKCJSLP-UHFFFAOYSA-N
SMILES
CCCC(c1ccc(cc1)C=C)O
Canonical SMILES
CCCC(C1=CC=C(C=C1)C=C)O
Isomeric SMILES
CCCC(C1=CC=C(C=C1)C=C)O
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C12H16O
Heavy Atom Count
13
Molecular Weight
176.259
Exact Molecular Weight
176.1201
Valence Electrons
70
Radical Electrons
0
tPSA
20.23
MolLogP
3.1631
H Bond Acceptors
1
H Bond Donors
1
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
1

MOL File


     RDKit          3D

 29 29  0  0  0  0  0  0  0  0999 V2000
   -4.4023   -0.9945    0.0737 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5786    0.2680   -0.1809 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1286   -0.1353   -0.0786 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1800    0.9883   -0.3025 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2070    0.4793   -0.1746 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2575    1.3711   -0.1884 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5631    0.9075   -0.0674 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8709   -0.4300    0.0690 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7772   -1.2937    0.0776 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4791   -0.8569   -0.0405 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2196   -0.9542    0.1979 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2708   -0.1662    0.1931 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3767    2.0732    0.5224 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7716   -1.9111   -0.0054 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8042   -1.0002    1.1244 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2167   -1.1121   -0.6514 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8204    0.6798   -1.1820 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8650    1.0039    0.5985 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9689   -0.8939   -0.9015 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9445   -0.6049    0.8874 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3279    1.3327   -1.3605 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0574    2.4280   -0.2935 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3641    1.6222   -0.0809 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9749   -2.3622    0.1836 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2956   -1.6129   -0.0205 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3425   -2.0174    0.2989 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2698   -0.6245    0.2947 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2372    0.9107    0.0963 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2102    2.9050    0.0233 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  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
  8 11  1  0
 11 12  2  3
  4 13  1  0
 10  5  1  0
  1 14  1  0
  1 15  1  0
  1 16  1  0
  2 17  1  0
  2 18  1  0
  3 19  1  0
  3 20  1  0
  4 21  1  0
  6 22  1  0
  7 23  1  0
  9 24  1  0
 10 25  1  0
 11 26  1  0
 12 27  1  0
 12 28  1  0
 13 29  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers