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
   -2.5924   -1.3284    0.1268 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0248   -0.1785   -0.1312 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5911    0.0532   -0.0327 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3022   -0.9216    0.3426 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6725   -0.7084    0.4392 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5094   -1.7468    0.8259 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1947    0.5325    0.1507 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3112    1.5216   -0.2274 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0551    1.2910   -0.3187 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8317    2.3644   -0.7083 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0854   -2.2288    0.4374 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6842   -1.4295    0.0306 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6675    0.6434   -0.4353 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1204   -1.9090    0.5714 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4908   -1.6113    0.8999 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2633    0.7427    0.2137 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7162    2.4985   -0.4552 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8078    2.4150   -0.8339 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