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
    2.7076   -0.9224    0.2544 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0167    0.0662   -0.2286 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5737    0.1041   -0.0732 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1187   -0.8923    0.5842 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5060   -0.8098    0.7072 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2020   -1.8016    1.3624 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1475    0.2780    0.1610 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4617    1.2785   -0.4980 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0953    1.2028   -0.6223 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6399    2.1605   -1.2628 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7814   -0.9286    0.1261 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3166   -1.7645    0.7861 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5462    0.8605   -0.7499 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3788   -1.7522    1.0172 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5387   -2.5863    0.8285 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2286    0.3780    0.2363 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9716    2.1435   -0.9323 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3090    2.9855   -1.6961 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