Monomers

2-Vinylhydroquinone

Identifiers

IUPAC name
2-ethenylbenzene-1,4-diol
InchI
InChI=1S/C8H8O2/c1-2-6-5-7(9)3-4-8(6)10/h2-5,9-10H,1H2
InchI Key
GWYFZTJDIQALEB-UHFFFAOYSA-N
SMILES
C=Cc1cc(O)ccc1O
Canonical SMILES
C=CC1=C(C=CC(=C1)O)O
Isomeric SMILES
C=CC1=C(C=CC(=C1)O)O
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C8H8O2
Heavy Atom Count
10
Molecular Weight
136.15
Exact Molecular Weight
136.0524
Valence Electrons
52
Radical Electrons
0
tPSA
40.46
MolLogP
1.7408
H Bond Acceptors
2
H Bond Donors
2
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
1

MOL File


     RDKit          3D

 18 18  0  0  0  0  0  0  0  0999 V2000
   -2.2159    1.8847   -0.4304 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9514    0.6117   -0.2235 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6119    0.0902   -0.0109 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5078    0.8842   -0.0065 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7988    0.3823    0.1983 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8816    1.2542    0.1879 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9846   -0.9582    0.4065 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8777   -1.7799    0.4073 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3847   -1.2682    0.2041 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5064   -2.0859    0.2028 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4296    2.6119   -0.4512 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2706    2.1630   -0.5791 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7710   -0.1303   -0.2041 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4205    1.9516   -0.1660 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1945    1.6939    1.0207 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9718   -1.3896    0.5698 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9882   -2.8447    0.5688 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4841   -3.0708    0.3439 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  5  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
  9  3  1  0
  1 11  1  0
  1 12  1  0
  2 13  1  0
  4 14  1  0
  6 15  1  0
  7 16  1  0
  8 17  1  0
 10 18  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers