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
    2.9369    0.4553   -0.1162 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7692    0.8098   -0.5329 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4634    0.2673   -0.2298 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6708    0.8525   -0.8318 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9284    0.3683   -0.5712 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0238    0.9604   -1.1748 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0913   -0.7028    0.2885 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9761   -1.2608    0.8663 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3182   -0.7793    0.6119 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3922   -1.3832    1.2228 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1907   -0.3347    0.5584 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8464    1.0004   -0.4644 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7686    1.6745   -1.2413 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5477    1.6965   -1.5099 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5155    1.7219   -0.7551 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0873   -1.0783    0.4884 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0704   -2.1057    1.5483 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2260   -2.1619    1.8427 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