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
   -2.9329    0.2395   -0.3119 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9137   -0.5188   -0.5795 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5552   -0.2502   -0.1840 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4179   -1.2703   -0.2745 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7226   -1.0559    0.0772 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6268   -2.0988   -0.0354 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1635    0.1705    0.5410 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2500    1.1809    0.6415 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0872    0.9512    0.2778 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9540    2.0233    0.4046 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9595   -0.0372   -0.6555 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9203    1.1511    0.2386 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0797   -1.4512   -1.1610 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0702   -2.2248   -0.6358 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1604   -2.2658   -0.8900 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1832    0.3637    0.8238 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5283    2.1633    0.9966 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7204    2.9294    0.7264 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