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
    2.8845   -0.6290   -0.0484 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0460    0.3776   -0.0771 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6169    0.1609   -0.0257 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0214   -1.0689    0.0548 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3670   -1.1825    0.0997 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9068   -2.4572    0.1809 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1581   -0.0721    0.0644 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5541    1.1497   -0.0159 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2004    1.3003   -0.0618 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4088    2.5645   -0.1444 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9816   -0.4407   -0.0890 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5567   -1.6572    0.0142 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4677    1.3709   -0.1405 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6348   -1.9786    0.0847 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8790   -2.6611    0.2188 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2238   -0.1965    0.1008 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1590    2.0455   -0.0454 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1702    3.3744   -0.1701 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