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
   -4.2793   -1.1050    0.4393 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5402    0.2129    0.2205 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0659   -0.1256    0.1955 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2259    1.1288   -0.0196 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1900    0.6915   -0.0279 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0392    0.9550    1.0194 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3559    0.5167    0.9484 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8715   -0.1758   -0.1220 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9835   -0.4259   -1.1666 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6797   -0.0008   -1.1142 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2529   -0.6405   -0.2063 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1041   -0.4178    0.7609 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4836    1.6771   -1.2837 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0942   -1.7640   -0.4381 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3690   -0.9338    0.5713 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8239   -1.5922    1.3064 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7562    0.8429    1.0939 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8661    0.6399   -0.7407 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8200   -0.8310   -0.6154 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7725   -0.5568    1.1650 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4242    1.8274    0.7950 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6721    1.5027    1.8911 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9969    0.7453    1.7985 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3842   -0.9704   -2.0111 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0590   -0.2412   -1.9756 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5632   -1.1859   -1.1081 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8910    0.1035    1.6743 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1181   -0.7835    0.6499 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6402    0.9064   -1.8841 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