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
   -3.1598    1.7034    0.2975 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8439    0.5829   -0.6587 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5749   -0.7225   -0.0095 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4528   -0.8127    0.9222 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0958   -0.5367    0.3547 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9405   -0.2271    1.2187 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2320    0.0189    0.7990 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5240   -0.0406   -0.5280 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4778   -0.3544   -1.4089 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1964   -0.5969   -0.9712 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8519    0.2046   -1.0472 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8686    0.5006   -0.2780 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3875   -2.0495    1.5439 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8826    1.4253    1.0711 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6355    2.5089   -0.3030 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2093    2.1107    0.6711 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6838    0.5282   -1.3804 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9620    0.9140   -1.2313 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4085   -1.5100   -0.8055 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5253   -1.0538    0.4750 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5316   -0.0895    1.7920 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7499   -0.1690    2.2913 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0119    0.2584    1.5180 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7314   -0.3967   -2.4610 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5661   -0.8513   -1.6896 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9870    0.1326   -2.1434 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8375    0.6742   -0.7135 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7703    0.5763    0.7712 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2597   -2.7284    0.8339 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