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
   -4.1716    0.4946   -0.1511 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4533   -0.1706    0.9986 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9760   -0.0169    0.9300 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3232   -0.5914   -0.2888 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1528   -0.3277   -0.1413 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9850   -1.3692    0.1639 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3455   -1.1027    0.2965 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8532    0.1691    0.1279 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9706    1.1962   -0.1813 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6264    0.9469   -0.3149 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2650    0.4950    0.2562 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1342   -0.4325    0.5449 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6975    0.0837   -1.4477 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2746    0.3813    0.0716 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9985    0.0271   -1.1246 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9135    1.5755   -0.2207 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7820   -1.2199    1.0277 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7880    0.3799    1.9233 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5435   -0.4882    1.8413 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6947    1.0536    0.9837 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4846   -1.6871   -0.3779 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6158   -2.3972    0.3057 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9902   -1.9342    0.5375 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3789    2.1980   -0.3130 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0388    1.7846   -0.5591 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5859    1.5330    0.1063 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8514   -1.4436    0.6949 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1924   -0.1752    0.6387 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8077    1.0378   -1.2136 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