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
    4.4837   -0.1152   -1.0436 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5283    0.4474   -0.0140 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0977    0.0011   -0.2924 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2370    0.6147    0.7859 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1977    0.2440    0.6153 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6580   -1.0000    0.9796 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9667   -1.3690    0.8355 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9039   -0.4718    0.2996 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4760    0.7749   -0.0726 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1304    1.1053    0.0938 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2727   -0.8749    0.1552 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1927   -0.0888   -0.3347 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7157    0.2171    2.0461 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4855    0.5037   -1.9604 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3035   -1.1835   -1.2504 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5065   -0.0401   -0.6133 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5815    1.5525   -0.0776 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7680    0.1532    1.0089 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0132   -1.1013   -0.2193 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7440    0.2929   -1.2816 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2966    1.7218    0.7246 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0812   -1.6891    1.3954 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3199   -2.3454    1.1232 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1682    1.4969   -0.4905 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8083    2.0935   -0.2050 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5677   -1.8681    0.4608 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2375   -0.4037   -0.4423 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0124    0.9170   -0.6696 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0698    0.4149    2.7602 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