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
   -2.9420   -0.1357    0.0904 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8509   -0.7864    0.2539 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5140   -0.2892    0.0595 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5226   -1.2361   -0.0167 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8293   -0.8740   -0.1853 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8625   -1.8245   -0.2609 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1129    0.4708   -0.2809 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1094    1.4019   -0.2076 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2306    1.0486   -0.0352 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2075    2.0394    0.0345 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0043    0.8777   -0.2178 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9084   -0.6307    0.2734 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9692   -1.8396    0.5833 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2970   -2.3100    0.0595 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3353   -2.1248    0.5898 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1639    0.7487   -0.4161 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3210    2.4603   -0.2815 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9270    3.0034   -0.0423 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