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
   -2.1416   -1.8154    0.1440 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8896   -0.5400    0.2917 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5611   -0.0033    0.0772 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4783   -0.8532   -0.2943 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7530   -0.3197   -0.4971 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7804   -1.1644   -0.8651 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9702    1.0299   -0.3296 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9680    1.8967    0.0362 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3084    1.3423    0.2360 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2953    2.2120    0.5989 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4615   -2.5893   -0.1341 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1789   -2.1437    0.3260 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6818    0.1270    0.5779 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3355   -1.9206   -0.4333 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3714   -1.6294   -0.1884 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9814    1.4308   -0.4940 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1205    2.9590    0.1723 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2406    1.9813    0.7757 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