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
   -4.0225    0.9390    0.3080 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5481   -0.4039    0.7626 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0407   -0.4494    0.9508 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4043   -0.1290   -0.3670 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0729   -0.1411   -0.3159 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7938    1.0314   -0.2600 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1898    0.9992   -0.2122 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9063   -0.1661   -0.2179 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1747   -1.3405   -0.2742 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7964   -1.3137   -0.3216 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3597   -0.2574   -0.1696 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0943    0.8274   -0.1154 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9137   -1.0088   -1.3168 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2438    0.9128   -0.7714 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2274    1.7155    0.4693 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9710    1.2273    0.8144 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8889   -1.1822    0.0511 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0739   -0.6305    1.7239 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7080    0.1739    1.7889 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7970   -1.5177    1.1911 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7544    0.8923   -0.6768 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2904    1.9854   -0.2524 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7284    1.9333   -0.1688 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7289   -2.2770   -0.2796 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2881   -2.2674   -0.3644 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8315   -1.2362   -0.1789 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6968    1.8206   -0.1031 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1627    0.7348   -0.0806 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5213   -0.8719   -2.2164 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