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
   -2.4046   -1.5565   -0.0221 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9755   -0.3150   -0.0918 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5676    0.0390   -0.0695 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4331   -0.9093    0.0272 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7847   -0.5383    0.0463 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7791   -1.5100    0.1444 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1554    0.7829   -0.0306 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1760    1.7364   -0.1269 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1796    1.3552   -0.1456 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1384    2.3407   -0.2434 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7210   -2.3716    0.0553 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4490   -1.7899   -0.0406 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7458    0.4359   -0.1677 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2032   -1.9639    0.0908 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1226   -1.8150    1.0463 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2191    1.0194   -0.0118 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4254    2.7847   -0.1895 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1171    2.2751   -0.2709 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