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
    2.5495   -1.0335    0.6346 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0130    0.0317    0.0817 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5719    0.1202   -0.0718 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2856   -0.8778    0.3417 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6586   -0.8202    0.2084 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4816   -1.8710    0.6499 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1885    0.3068   -0.3739 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4060    1.3433   -0.8117 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0329    1.2285   -0.6508 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7272    2.2629   -1.0893 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6424   -1.0939    0.7478 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0214   -1.8748    0.9982 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6273    0.8497   -0.2641 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0958   -1.7887    0.8088 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7924   -1.7788    1.6267 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2631    0.3749   -0.4893 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8340    2.2440   -1.2773 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6944    2.3768   -1.0696 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