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
   -2.4909   -1.6063   -0.0217 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0464   -0.3702   -0.0977 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6278   -0.0021   -0.0078 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3628   -0.9447    0.1664 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7068   -0.6096    0.2528 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6959   -1.5669    0.4283 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0750    0.7065    0.1627 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0878    1.6537   -0.0117 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2493    1.3407   -0.0996 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2194    2.3067   -0.2742 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5489   -1.8315   -0.0933 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8412   -2.4544    0.1140 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7657    0.4237   -0.2344 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1098   -2.0023    0.2426 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1673   -2.0299   -0.3311 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1300    1.0087    0.2269 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3882    2.7001   -0.0827 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9338    3.2777   -0.3395 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