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
   -4.1261    0.2787   -0.6753 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5312   -0.8528    0.1123 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0382   -0.9740   -0.0356 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3549    0.2718    0.4300 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1182    0.1994    0.3045 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7366    0.3051   -0.9187 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1279    0.2328   -1.0034 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9273    0.0575    0.0975 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2905   -0.0475    1.3240 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9173    0.0233    1.4130 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3630   -0.0144   -0.0146 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9739    0.0818   -1.1578 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8519    1.3394   -0.3524 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6249    0.4989   -1.6163 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1689    1.2392   -0.0903 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1802   -0.0183   -0.9538 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7534   -0.6347    1.1943 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0375   -1.8013   -0.1829 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7854   -1.1400   -1.1146 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7075   -1.8852    0.4912 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6750    0.4628    1.4730 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1217    0.4458   -1.8158 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5175    0.3278   -2.0183 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9192   -0.1849    2.1861 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4415   -0.0632    2.3985 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9363   -0.1529    0.8906 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4645    0.2205   -2.0967 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0758    0.0177   -1.1664 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0963    1.7668   -0.8354 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