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
    4.3729    0.8900   -0.4600 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5024   -0.0603    0.3112 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0506    0.2664   -0.0138 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1115   -0.6650    0.7391 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2753   -0.2880    0.3740 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7916    0.9196    0.8619 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0546    1.3214    0.5635 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8775    0.5298   -0.2467 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3751   -0.6547   -0.7269 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0845   -1.0683   -0.4238 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2090    1.0155   -0.5250 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0359    0.3406   -1.2687 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2766   -0.4322    2.0858 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0835    0.2672   -1.0609 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9752    1.5608    0.1922 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7810    1.5306   -1.1361 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6729    0.0892    1.3908 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6925   -1.1274    0.0681 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8769    1.2963    0.3723 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8663    0.2797   -1.0930 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3006   -1.7194    0.4631 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1647    1.5412    1.4899 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4373    2.2501    0.9447 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9558   -1.3105   -1.3554 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6853   -1.9954   -0.7971 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5603    1.9541   -0.1248 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7553   -0.5927   -1.6957 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0544    0.6761   -1.5027 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7536   -1.1281    2.5739 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