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
    2.6880   -0.8910   -0.3518 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9959    0.1992   -0.1527 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5458    0.1960   -0.0597 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2086   -0.9513   -0.1740 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6023   -0.9638   -0.0859 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3153   -2.1476   -0.2080 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2901    0.2045    0.1243 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5652    1.3608    0.2417 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1649    1.3737    0.1533 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5180    2.5673    0.2787 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2091   -1.8398   -0.4555 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7692   -0.9102   -0.4242 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5712    1.1119   -0.0604 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2698   -1.9000   -0.3395 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4817   -2.6528    0.6725 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3774    0.2369    0.1990 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0588    2.2987    0.4067 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4973    2.7075    0.2355 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