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
    2.8570   -0.6349   -0.5207 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0188    0.3556   -0.2648 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5839    0.1877   -0.1036 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0230   -1.0435   -0.2077 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3897   -1.1677   -0.0488 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9815   -2.4232   -0.1585 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1689   -0.0558    0.2174 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5805    1.1864    0.3256 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2087    1.3100    0.1659 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4123    2.5341    0.2671 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4997   -1.6451   -0.6245 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9256   -0.4748   -0.6356 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4404    1.3640   -0.1697 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5286   -1.9476   -0.4135 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3215   -2.7839   -1.0519 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2566   -0.1755    0.3408 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1821    2.0693    0.5347 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1538    3.3449    0.4610 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