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
   -4.5351   -0.2772    0.6518 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5609    0.0183   -0.4590 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1492   -0.0208    0.0805 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1273    0.2684   -0.9904 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2518    0.2229   -0.4466 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4786    0.1158    0.8991 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8010    0.0790    1.3528 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8835    0.1450    0.5140 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6273    0.2523   -0.8338 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3122    0.2912   -1.3136 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2297    0.0996    1.0751 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3244    0.1578    0.3345 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2307   -0.5878   -2.0856 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4558   -1.3503    0.9914 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3069    0.3342    1.5375 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5764   -0.0815    0.3439 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7540    1.0511   -0.7970 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6975   -0.6999   -1.2903 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0318    0.7909    0.8425 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9586   -1.0303    0.4771 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2940    1.2998   -1.4265 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3195    0.0568    1.6342 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9633   -0.0060    2.4201 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4437    0.3078   -1.5388 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1529    0.3753   -2.3701 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3658    0.0128    2.1653 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3031    0.1207    0.7942 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2982    0.2433   -0.7405 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4381   -1.5072   -1.8217 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