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
   -2.1341    0.3737    1.2113 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0152   -0.5239    0.3933 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6408   -0.6218   -1.0572 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3297   -1.1644   -1.3510 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1093   -0.5510   -0.8816 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5253   -1.1048    0.2143 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6767   -0.6047    0.7192 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3139    0.5164    0.1664 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6639    1.0516   -0.9246 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4944    0.5516   -1.4454 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5457    1.0215    0.7360 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1469    2.0573    0.2363 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1715   -1.2766   -2.7689 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4152    0.9732    0.6393 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5698   -0.2373    1.9477 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7752    1.1045    1.7885 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0720   -0.1572    0.5206 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0562   -1.5523    0.8569 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4197   -1.3136   -1.5094 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8934    0.3586   -1.5126 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3211   -2.2548   -1.0382 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1027   -1.9882    0.7188 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1629   -1.0531    1.5826 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0900    1.9199   -1.4113 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0062    0.9800   -2.3016 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9592    0.5182    1.5905 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7819    2.5974   -0.6124 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0749    2.4196    0.6835 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6092   -2.0398   -2.9997 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