Monomers

1-(4-Vinylphenyl)-1-propanol

Identifiers

IUPAC name
1-(4-ethenylphenyl)propan-1-ol
InchI
InChI=1S/C11H14O/c1-3-9-5-7-10(8-6-9)11(12)4-2/h3,5-8,11-12H,1,4H2,2H3
InchI Key
FNYDFLXPKVRBLU-UHFFFAOYSA-N
SMILES
CCC(c1ccc(cc1)C=C)O
Canonical SMILES
CCC(C1=CC=C(C=C1)C=C)O
Isomeric SMILES
CCC(C1=CC=C(C=C1)C=C)O
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C11H14O
Heavy Atom Count
12
Molecular Weight
162.232
Exact Molecular Weight
162.1045
Valence Electrons
64
Radical Electrons
0
tPSA
20.23
MolLogP
2.773
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

 26 26  0  0  0  0  0  0  0  0999 V2000
   -2.5004    1.5468   -0.2147 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8552    0.1786   -0.7482 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1337   -0.8591    0.0733 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6617   -0.6708   -0.0078 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1209   -1.3858   -0.8906 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4759   -1.1889   -0.9301 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0957   -0.2701   -0.0881 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3329    0.4456    0.7920 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0481    0.2274    0.8142 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5367   -0.0936   -0.1642 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2264    0.7426    0.5794 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4726   -0.8471    1.4159 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1624    2.2706   -0.7781 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7820    1.5641    0.8623 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4799    1.8620   -0.4359 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9676    0.0663   -0.6530 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5428    0.0931   -1.8164 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4236   -1.8525   -0.3543 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3232   -2.1010   -1.5529 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0832   -1.7521   -1.6237 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7616    1.1688    1.4654 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6209    0.7973    1.5159 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0999   -0.7045   -0.8994 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2921    0.7949    0.4419 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7452    1.3642    1.3108 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7963   -1.3967    1.8863 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  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  7 10  1  0
 10 11  2  3
  3 12  1  0
  9  4  1  0
  1 13  1  0
  1 14  1  0
  1 15  1  0
  2 16  1  0
  2 17  1  0
  3 18  1  0
  5 19  1  0
  6 20  1  0
  8 21  1  0
  9 22  1  0
 10 23  1  0
 11 24  1  0
 11 25  1  0
 12 26  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers