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
    2.7957   -0.1342    0.5857 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9243   -0.3926   -0.3604 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5044   -0.1172   -0.2036 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3772   -1.1585   -0.4809 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7304   -0.9804   -0.3647 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6196   -2.0120   -0.6387 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1689    0.2718    0.0372 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3105    1.3011    0.3108 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0773    1.1176    0.1903 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9047    2.2055    0.4742 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8517   -0.3456    0.4469 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5191    0.2733    1.5418 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2985   -0.8357   -1.3051 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0270   -2.1324   -0.7938 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6060   -1.8324   -0.5390 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2513    0.3825    0.1212 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6685    2.2780    0.6251 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8835    2.1111    0.3531 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