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
    2.9224    0.1643   -0.0882 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8453    0.1951    0.6502 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4768    0.0437    0.2161 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4968    0.9250    0.7053 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8161    0.8618    0.3688 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7586    1.7712    0.8872 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2102   -0.1283   -0.5038 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3022   -1.0200   -1.0143 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0570   -0.9322   -0.6480 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9083   -1.8720   -1.1973 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9070    0.2891    0.3578 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9169    0.0439   -1.1491 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9625    0.3545    1.7409 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1783    1.7030    1.3929 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2251    1.5272    1.7522 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2757   -0.1854   -0.7815 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6090   -1.7954   -1.6972 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8757   -1.9455   -0.9922 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