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
    2.9596   -0.2178    0.1002 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8272   -0.6636    0.5572 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4884   -0.2281    0.2438 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5929   -0.8671    0.8685 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8941   -0.5071    0.6198 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9654   -1.1617    1.2579 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1144    0.5162   -0.2751 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0649    1.1508   -0.8941 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2641    0.7848   -0.6416 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2519    1.4761   -1.3077 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9053   -0.6725    0.4521 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0978    0.5696   -0.6058 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9338   -1.4960    1.2898 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4281   -1.6808    1.5805 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3383   -1.9729    0.7743 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1433    0.7985   -0.4695 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2414    1.9559   -1.5980 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0547    2.2155   -1.9522 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