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
   -2.4857   -1.3008    0.0075 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0034   -0.0875    0.1281 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5558    0.1152    0.0181 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3166   -0.9103   -0.2059 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7004   -0.7401   -0.3143 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5294   -1.8198   -0.5416 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2104    0.5323   -0.1879 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3373    1.5725    0.0382 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0483    1.3894    0.1450 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8430    2.4910    0.3721 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9593   -2.2056   -0.1668 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5805   -1.4018    0.0979 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6655    0.7740    0.3094 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0251   -1.9133   -0.3112 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9029   -2.3181    0.2646 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2864    0.6903   -0.2687 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7023    2.5877    0.1430 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8193    2.5450    0.4725 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