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
    2.6248   -1.2649   -0.0018 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0599   -0.0999    0.1765 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6243    0.0374    0.0321 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2257   -0.9937   -0.2890 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6068   -0.7987   -0.4146 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4488   -1.8466   -0.7383 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1432    0.4535   -0.2142 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2835    1.5086    0.1131 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0490    1.2857    0.2269 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8827    2.3606    0.5553 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1199   -2.1713   -0.2546 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7207   -1.3285    0.1172 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6534    0.7868    0.4359 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1820   -1.9763   -0.4478 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8471   -2.3959    0.0197 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2069    0.6571   -0.2997 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6831    2.5080    0.2765 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5284    3.2780    0.7068 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