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
   -2.2926    0.7503   -0.7076 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1042   -0.3864   -0.2010 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5104   -1.0056    1.0016 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1845   -1.6452    0.9160 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0334   -0.8346    0.5112 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6455   -0.0955    1.4881 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7590    0.6661    1.1967 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2660    0.7400   -0.0834 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5933    0.0081   -1.0496 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4807   -0.7546   -0.7654 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4428    1.5367   -0.4256 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1310    2.2485    0.4080 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2751   -2.8422    0.1914 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8215    0.6017   -1.6931 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9610    1.6732   -0.8227 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5226    1.1041    0.0043 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3714   -1.1217   -0.9981 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1181    0.0146    0.1148 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2130   -1.8137    1.4023 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5603   -0.2468    1.8570 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0005   -2.0479    1.9906 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2590   -0.1402    2.5131 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2517    1.2251    2.0009 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9938    0.0631   -2.0749 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0219   -1.3170   -1.5531 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7542    1.5179   -1.4822 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8601    2.2969    1.4620 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9958    2.8054    0.0361 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4426   -3.0005   -0.3479 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