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
    2.9738    0.0058    0.0676 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9193    0.4438   -0.5290 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5312    0.1637   -0.2502 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4843    0.9196   -0.8585 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8213    0.7088   -0.6540 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7753    1.5104   -1.3018 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1836   -0.3039    0.1981 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2148   -1.0617    0.8088 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1478   -0.8477    0.6008 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0785   -1.6659    1.2606 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9634   -0.6555    0.8898 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9797    0.3244   -0.2793 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0804    1.1360   -1.3885 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1705    1.7288   -1.5386 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0403    2.3503   -0.7676 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2396   -0.5072    0.3905 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4844   -1.8638    1.4833 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7401   -2.3859    1.8679 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