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
    4.1940   -0.0873    0.7973 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5226    0.6945   -0.2825 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0447    0.8139   -0.1257 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3470   -0.5301   -0.1178 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1090   -0.3635    0.0391 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7111   -0.5352    1.2668 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0711   -0.3837    1.4325 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8341   -0.0520    0.3334 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2415    0.1195   -0.8867 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8708   -0.0356   -1.0424 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2615    0.1103    0.4913 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0593    0.4257   -0.5053 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6128   -1.2740   -1.2387 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5988   -1.0355    0.3874 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5210   -0.3700    1.6286 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0762    0.5053    1.1464 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7072    0.2094   -1.2856 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9372    1.7186   -0.3855 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7615    1.4194    0.7550 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6578    1.3534   -1.0279 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7319   -1.0790    0.7760 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0871   -0.7968    2.1191 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5684   -0.5098    2.3705 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7848    0.3811   -1.7924 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4302    0.1071   -2.0229 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7397   -0.0297    1.4829 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7229    0.5864   -1.5032 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1387    0.5423   -0.3564 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9177   -1.9047   -1.4906 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