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
   -3.1496    0.8521    0.8057 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5845    1.1021   -0.5760 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4017   -0.1602   -1.3611 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4716   -1.1557   -0.7361 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0967   -0.7150   -0.5292 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6501   -1.4306    0.4094 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9513   -1.1478    0.7076 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5964   -0.0977    0.0599 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8630    0.6175   -0.8729 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5330    0.3061   -1.1584 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9941    0.2181    0.3700 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6416    1.2045   -0.2217 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9673   -1.4718    0.5605 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7175    1.7581    1.0971 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8007   -0.0456    0.8206 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3556    0.6669    1.5564 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3832    1.6849   -1.1262 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7136    1.7745   -0.5580 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1530    0.0999   -2.3868 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4082   -0.6577   -1.3959 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4617   -2.0829   -1.3393 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1999   -2.2727    0.9569 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5385   -1.6998    1.4363 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3015    1.4379   -1.4063 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0181    0.8810   -1.8869 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4822   -0.4091    1.1237 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2090    1.8362   -0.9561 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6800    1.3720    0.0673 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9936   -2.4652    0.6767 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