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
    2.6473    1.1936   -0.3578 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0313    0.0506   -0.3565 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5980   -0.0506   -0.1452 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2438    1.0137    0.0704 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6230    0.8654    0.2695 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4134    1.9895    0.4821 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1590   -0.4048    0.2481 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3173   -1.4760    0.0319 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0373   -1.3315   -0.1637 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8578   -2.4330   -0.3791 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7353    1.2787   -0.5174 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1687    2.1453   -0.2070 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6338   -0.8397   -0.5212 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1947    2.0002    0.0836 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5702    2.3307    1.4260 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2337   -0.5181    0.4034 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7793   -2.4620    0.0223 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4356   -3.3521   -0.3893 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