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
    2.8430    0.4694    0.1634 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9109   -0.3771    0.4876 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4906   -0.2489    0.1677 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0105    0.8418   -0.5417 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3321    0.9957   -0.8628 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8064    2.0902   -1.5734 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2462    0.0415   -0.4737 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7615   -1.0380    0.2301 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4246   -1.2013    0.5557 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0680   -2.3283    1.2645 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8825    0.3450    0.4151 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6015    1.3585   -0.3888 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2432   -1.2500    1.0463 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6897    1.6145   -0.8674 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0953    2.8955   -1.0012 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2974    0.1421   -0.7137 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4971   -1.7822    0.5296 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8564   -2.5685    1.5627 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