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
   -2.7297   -0.4866   -0.3759 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8973    0.5070   -0.2154 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4776    0.2745   -0.0820 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0374   -0.9948   -0.1198 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4145   -1.2469    0.0077 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9368   -2.5156   -0.0293 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2312   -0.1553    0.1736 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7105    1.1144    0.2108 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3599    1.3795    0.0871 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0916    2.6855    0.1343 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8173   -0.3024   -0.4776 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4360   -1.5143   -0.4196 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3314    1.5079   -0.1885 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5611   -1.8986   -0.2489 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0157   -3.0075    0.8683 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2963   -0.3321    0.2735 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3702    1.9793    0.3435 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0307    3.0060    0.0582 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