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
    2.8091    0.4690    0.8988 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0355   -0.2028    0.1139 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6020   -0.0842   -0.0408 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0709   -1.0069   -0.8678 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4202   -0.9787   -1.0848 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9924   -1.9463   -1.9286 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1836   -0.0121   -0.4782 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5608    0.9003    0.3320 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1809    0.8737    0.5555 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3906    1.8237    1.3842 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4609    1.2252    1.5551 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8999    0.3077    0.9483 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5515   -0.9595   -0.5145 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5079   -1.7947   -1.3699 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3194   -2.8330   -1.5121 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2469   -0.0007   -0.6572 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1262    1.6809    0.8310 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1563    2.5384    1.8352 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