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
   -4.0561    0.8662    0.0789 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6307   -0.5653   -0.0491 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1669   -0.6428   -0.4611 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3860    0.0470    0.6176 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0810    0.0330    0.3337 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9908    0.4421    1.2964 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3536    0.4400    1.0713 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8913    0.0289   -0.1302 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9616   -0.3812   -1.0925 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6011   -0.3809   -0.8723 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3114    0.0019   -0.4323 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2345    0.3718    0.4220 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5840   -0.5218    1.8520 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0887    1.1233    1.1738 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3935    1.5897   -0.3931 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0792    1.0304   -0.3349 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2239   -1.0183   -0.8717 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7273   -1.0883    0.9083 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8358   -1.6896   -0.5229 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0116   -0.1822   -1.4612 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6951    1.1320    0.7019 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6101    0.7681    2.2420 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0524    0.7689    1.8506 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3591   -0.7088   -2.0448 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0894   -0.7114   -1.6512 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6192   -0.3392   -1.4066 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2873    0.3367    0.1571 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0047    0.7281    1.4250 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3898   -1.4784    1.8037 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