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
   -2.7464   -1.0290    0.0176 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5039   -1.3061   -0.2588 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4022   -0.4108   -0.0915 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8830   -0.8712   -0.4388 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0079   -0.1081   -0.3224 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2708   -0.5991   -0.6776 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9184    1.1739    0.1523 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6925    1.6847    0.5094 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4287    0.8642    0.3718 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6266    1.4221    0.7419 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5517   -1.7858   -0.1417 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1365   -0.1046    0.4071 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3214   -2.3088   -0.6473 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9596   -1.8892   -0.8165 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3385   -1.5473   -1.0290 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8269    1.7625    0.2363 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5956    2.7060    0.8912 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7756    2.3464    1.0961 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