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
   -3.6080   -1.1341   -0.5326 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4344   -0.1684   -0.5463 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3420    0.4741    0.8062 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1829    1.4532    0.8529 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1046    0.7965    0.5838 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7322    0.0678    1.5787 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9444   -0.5592    1.3494 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5489   -0.4554    0.0874 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9101    0.2682   -0.8754 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6902    0.9027   -0.6543 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8179   -1.1251   -0.1157 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4109   -1.0510   -1.2772 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1063    2.0922    2.0844 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8231   -1.5376   -1.5228 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4630   -0.5579   -0.0923 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3860   -1.9856    0.1502 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5306   -0.7859   -0.7236 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6164    0.5892   -1.3153 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2228   -0.3252    1.5685 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2754    1.0659    0.9516 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3963    2.2257    0.0767 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2981   -0.0365    2.5670 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4049   -1.1191    2.1491 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3293    0.3817   -1.8650 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2449    1.4562   -1.4606 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2721   -1.6870    0.6996 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3696   -1.5723   -1.3885 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0616   -0.5338   -2.1388 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7524    2.8608    2.0480 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