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
    2.9471    0.0718   -0.1174 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9369   -0.7533    0.0254 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5385   -0.3207   -0.0137 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1615    0.9894   -0.2038 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1591    1.4144   -0.2433 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4933    2.7583   -0.4393 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1331    0.4603   -0.0817 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8133   -0.8641    0.1116 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4922   -1.2449    0.1444 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1238   -2.5626    0.3359 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8310    1.1313   -0.2747 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9576   -0.2989   -0.0804 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1374   -1.7927    0.1781 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9135    1.7541   -0.3328 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5784    3.3066    0.4156 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1756    0.8071   -0.1145 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6022   -1.5810    0.2341 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8526   -3.2751    0.4566 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