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
   -2.4837   -1.0282   -0.9559 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8900    0.0819   -0.5676 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5239    0.1327   -0.0987 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2795   -1.0039   -0.0209 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5771   -0.8862    0.4363 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3357   -2.0439    0.4954 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1138    0.3267    0.8230 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3316    1.4467    0.7495 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0170    1.3329    0.2873 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7042    2.4935    0.2412 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9947   -1.9789   -0.9524 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5146   -1.0444   -1.3060 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4858    1.0005   -0.6126 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1426   -1.9381   -0.3217 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8721   -2.2661   -0.3577 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1332    0.3231    1.1659 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7194    2.4009    1.0421 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6398    2.6508   -0.0474 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