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
    2.6534   -0.9678   -0.3382 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9500   -0.0469    0.3397 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5170    0.1323    0.1725 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2009   -0.6659   -0.7215 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5588   -0.5399   -0.9199 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2525   -1.3430   -1.8128 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1951    0.4343   -0.1777 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5025    1.2237    0.7024 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1223    1.1003    0.9083 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4990    1.9420    1.8197 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2385   -1.6435   -1.0503 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7167   -1.0371   -0.1560 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4577    0.5986    1.0456 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2747   -1.4347   -1.3134 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6583   -2.2285   -1.4994 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2702    0.5341   -0.3347 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0099    1.9807    1.2761 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4635    1.9613    2.0598 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