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
    2.0377    0.6665    1.3577 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0332   -0.1315    0.5693 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4860   -1.3436   -0.1064 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4300   -1.1860   -1.1050 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1377   -0.6509   -0.7733 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5259   -0.8844    0.3994 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7712   -0.3550    0.6876 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4069    0.4510   -0.2243 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7556    0.7055   -1.4254 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5203    0.1644   -1.6798 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7103    1.0254    0.0371 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3694    0.8199    1.1468 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0249   -0.2824   -2.0806 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3011    1.2036    0.7461 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5073    0.0314    2.0929 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6539    1.4294    1.9470 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8270   -0.4273    1.3348 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5951    0.5253   -0.1445 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2779   -2.0795    0.7036 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3783   -1.8211   -0.6283 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3014   -2.1123   -1.7047 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0617   -1.5057    1.1295 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2401   -0.5856    1.6460 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2530    1.3423   -2.1512 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0662    0.4071   -2.6464 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1490    1.6525   -0.7299 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0134    0.2161    1.9563 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3609    1.2839    1.2923 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2123    0.5662   -1.6466 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