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
    2.9453   -0.2787    0.0860 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8581   -0.7788   -0.4032 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5026   -0.2741   -0.1959 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5849   -1.1247   -0.4730 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8904   -0.7430   -0.3284 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9512   -1.5952   -0.6064 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1048    0.5514    0.1144 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0723    1.4077    0.3938 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2533    1.0033    0.2409 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2813    1.9070    0.5336 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9725    0.5810    0.7135 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8969   -0.7837   -0.1703 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9423   -1.6730   -1.0464 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3487   -2.1307   -0.8169 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3184   -2.1833    0.1344 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1419    0.8544    0.2295 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2713    2.4309    0.7441 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0316    2.8296    0.8500 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