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
    2.4394   -1.5009   -0.4599 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8612   -0.3552   -0.7253 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5463   -0.0081   -0.2189 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1899   -0.8598    0.5785 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4514   -0.5160    1.0591 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1579   -1.3963    1.8553 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9230    0.7250    0.6921 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1939    1.5834   -0.1050 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0486    1.2412   -0.5765 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7971    2.0934   -1.3805 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4446   -1.7166   -0.8714 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9836   -2.2675    0.1514 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4141    0.3429   -1.3531 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1889   -1.8464    0.8682 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7890   -2.0779    1.4645 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9050    1.0085    1.0584 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6208    2.5571   -0.3636 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5071    2.9931   -1.6733 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