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
   -2.9668   -0.3323   -0.3723 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8083   -0.7455   -0.7754 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5299   -0.2941   -0.2999 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6171   -1.0584   -0.6052 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8653   -0.6791   -0.1964 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9713   -1.4710   -0.5244 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0641    0.4706    0.5352 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9775    1.2242    0.8420 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2952    0.8438    0.4288 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3729    1.6560    0.7698 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0856    0.4196    0.3905 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9103   -0.7272   -0.7876 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8304   -1.5168   -1.5626 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4459   -1.9596   -1.1800 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8931   -1.2049   -0.2311 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0834    0.7569    0.8551 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0814    2.1311    1.4116 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1998    2.4866    1.3020 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