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
   -4.1246   -0.1788    0.5731 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5125    0.7513   -0.4357 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0200    0.8352   -0.2554 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3242   -0.4805   -0.4591 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1141   -0.3829   -0.2813 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7012    0.8335   -0.0641 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0906    0.9337    0.1044 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9152   -0.1653    0.0606 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3052   -1.3912   -0.1602 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9412   -1.4750   -0.3239 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3533   -0.1420    0.2251 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9974    0.9667    0.4351 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9626   -1.4418    0.2551 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1438    0.1819    0.8923 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4520   -0.2178    1.4620 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2139   -1.1840    0.1206 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7381    0.3276   -1.4607 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9867    1.7584   -0.4266 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7781    1.2158    0.7819 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6162    1.6343   -0.9229 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4842   -0.7341   -1.5614 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1475    1.7862   -0.0047 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5173    1.9089    0.2735 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9045   -2.3082   -0.2066 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5251   -2.4520   -0.4920 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8974   -1.0680    0.1713 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4637    1.8961    0.4905 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0906    0.9435    0.5550 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6073   -2.3516    0.1893 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