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
   -2.9577   -0.2645    0.1440 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8441   -0.8517   -0.0838 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4803   -0.3593   -0.0155 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5948   -1.2606   -0.1119 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8670   -0.7709   -0.0545 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9741   -1.6361   -0.1468 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1257    0.5692    0.0939 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0728    1.4373    0.1865 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2456    0.9813    0.1325 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2593    1.9371    0.2335 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9094   -0.8252    0.0334 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0555    0.7513    0.4483 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9202   -1.9196   -0.3898 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3870   -2.3051   -0.2271 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3895   -1.8656   -1.0286 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1432    0.9657    0.1405 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.5089    0.3050 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0946    2.9079    0.3407 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