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
   -4.1784    0.1535   -0.4201 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5020    0.0943    0.9081 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0496    0.4218    0.7967 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3552   -0.5584   -0.1075 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1026   -0.2523   -0.2321 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5813    0.7051   -1.0880 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9333    0.9505   -1.1657 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8614    0.2704   -0.4114 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3698   -0.6827    0.4389 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0020   -0.9498    0.5353 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2828    0.5070   -0.4728 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2100   -0.1090    0.2212 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9707   -0.6496   -1.3309 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2348    0.4955   -0.2772 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7173    0.8661   -1.1430 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2510   -0.8215   -0.9390 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5623   -0.9804    1.2524 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0258    0.6848    1.6912 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5686    0.4326    1.8070 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9053    1.4465    0.3919 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4463   -1.5609    0.3714 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1085    1.2685   -1.7036 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3374    1.7118   -1.8434 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0103   -1.2892    1.0898 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6717   -1.7186    1.2288 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6413    1.2830   -1.1708 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2585    0.1264    0.1180 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9550   -0.8793    0.9258 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3419   -0.9658   -2.0394 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