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
    2.8542    0.3792   -0.0806 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7174    0.9809    0.1193 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4430    0.3338   -0.0561 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6581    1.1980   -0.1687 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8923    0.6163   -0.3216 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0007    1.4580   -0.4355 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0701   -0.7430   -0.3655 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0018   -1.6014   -0.2563 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2605   -1.0342   -0.1001 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3186   -1.9110    0.0104 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7648    0.9734    0.0859 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0203   -0.6348   -0.4019 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7408    2.0300    0.4415 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5497    2.2732   -0.1377 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9239    2.4470   -0.4096 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0512   -1.1887   -0.4870 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1268   -2.6813   -0.2893 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1550   -2.8955   -0.0249 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