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
    3.5141    1.3848   -0.6807 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4865    0.2941   -0.4849 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3873   -0.0343    0.9648 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3717   -1.1157    1.2669 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0088   -0.7610    0.8698 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9482   -1.7783    0.6403 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2441   -1.5021    0.2857 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6450   -0.1782    0.1480 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7545    0.8394    0.3646 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4343    0.5286    0.7268 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0014    0.1324   -0.2238 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4489    1.3510   -0.3716 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7207   -2.3007    0.5993 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7890    1.8665    0.2760 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1309    2.0951   -1.4400 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4634    0.9442   -1.0788 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5259    0.6031   -0.9102 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8446   -0.6270   -1.0134 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0980    0.8711    1.5268 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3972   -0.3217    1.3688 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3975   -1.3039    2.3513 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5878   -2.8108    0.7605 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9512   -2.3289    0.1143 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9787    1.8948    0.2805 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2659    1.3517    0.9089 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6910   -0.6838   -0.3910 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8662    2.2434   -0.2349 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4939    1.5556   -0.6573 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6611   -2.2095   -0.3682 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