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
    2.9137    0.2331   -0.1563 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9145   -0.4172   -0.6493 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5421   -0.1949   -0.2863 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4293   -1.1709   -0.5332 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7581   -1.0232   -0.2365 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7038   -2.0161   -0.4952 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1460    0.1645    0.3397 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2280    1.1511    0.6001 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1331    0.9774    0.2863 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9420    2.0329    0.5919 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9307   -0.0285   -0.5180 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8214    0.9910    0.5819 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1617   -1.2018   -1.4121 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0893   -2.0841   -0.9836 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9002   -2.7112    0.2113 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1800    0.3393    0.5965 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5807    2.0732    1.0566 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6560    2.8855    1.0061 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