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
    2.8487   -0.4768    0.1833 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6673   -0.8527    0.6041 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4137   -0.2604    0.2047 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6428   -1.0825   -0.2267 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8687   -0.6067   -0.6132 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8975   -1.4397   -1.0358 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0440    0.7628   -0.5646 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0273    1.5959   -0.1450 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2181    1.0950    0.2474 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1714    1.9944    0.6595 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7548   -0.9697    0.5309 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9358    0.3120   -0.5333 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6294   -1.6838    1.3165 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4860   -2.1435   -0.2571 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5779   -1.8289   -0.3945 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9985    1.1937   -0.8616 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1681    2.6569   -0.1091 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0714    1.7339    0.9947 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