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
    2.7763   -0.9463   -0.1431 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0271    0.1081   -0.3229 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5816    0.1110   -0.1513 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1275   -1.0126    0.2199 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5107   -1.0156    0.3855 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1616   -2.1836    0.7611 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1529    0.1767    0.1578 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4999    1.3306   -0.2144 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1309    1.2841   -0.3657 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5529    2.4567   -0.7464 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4043   -1.9079    0.1467 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8688   -0.9047   -0.2840 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5059    1.0351   -0.6166 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4001   -1.9397    0.3936 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2588   -2.3211    1.7740 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2416    0.1631    0.2911 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0693    2.2586   -0.3834 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0363    3.3075   -0.9020 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