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
    4.1609    0.3030    0.5202 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3986    1.3016   -0.2964 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9082    1.2204   -0.1055 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3582   -0.1281   -0.4859 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0865   -0.2497   -0.3155 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6491   -1.5087   -0.3388 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9691   -1.7705   -0.1942 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8559   -0.7112   -0.0058 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3234    0.5596    0.0220 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9530    0.8044   -0.1300 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2909   -0.9765    0.1527 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1737   -0.0276    0.3325 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0419   -1.0767    0.2975 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1964    0.6872    0.7492 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3349   -0.6266   -0.0737 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7117    0.0525    1.4816 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7930    2.3041   -0.0942 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6099    1.0883   -1.3691 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4479    2.0560   -0.6363 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7194    1.3981    0.9891 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6059   -0.2990   -1.5575 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0113   -2.3800   -0.4851 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3959   -2.7814   -0.2160 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9576    1.4229    0.1646 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5504    1.8149   -0.1053 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6162   -1.9937    0.1178 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8984    1.0129    0.3753 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2150   -0.2966    0.4419 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6369   -1.1995    1.1799 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