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
    2.9714   -0.2227    0.3662 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8387   -0.8573    0.2954 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5208   -0.3201    0.1051 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5602   -1.2101    0.0613 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8470   -0.7764   -0.1168 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9080   -1.6734   -0.1578 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1404    0.5616   -0.2621 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1021    1.4486   -0.2228 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2091    0.9938   -0.0402 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1979    1.9508   -0.0123 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0390    0.8329    0.2843 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9201   -0.7362    0.5140 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9297   -1.9658    0.3992 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3777   -2.2874    0.1724 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1769   -2.0590   -1.0636 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1708    0.8996   -0.4040 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3069    2.5039   -0.3345 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9635    2.9172   -0.1197 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