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
    2.6306    1.1111   -0.1733 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9432    0.0725   -0.5635 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5446   -0.0606   -0.2050 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1369    0.8547    0.5403 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4899    0.6912    0.8669 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1563    1.6415    1.6279 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1112   -0.4305    0.4075 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4805   -1.3936   -0.3498 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1482   -1.1883   -0.6456 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5421   -2.1061   -1.3952 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2102    1.9004    0.4171 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6865    1.1766   -0.4643 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4531   -0.6822   -1.1616 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3260    1.7530    0.9189 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7175    2.4629    1.9694 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1696   -0.5840    0.6481 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9989   -2.2830   -0.7060 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0728   -2.9356   -1.7318 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