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
    2.8797   -0.3895   -0.0684 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9734    0.5271    0.0781 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5544    0.2317    0.0703 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1055   -1.0558   -0.0953 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2679   -1.2800   -0.0943 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7406   -2.5943   -0.2630 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1606   -0.2450    0.0677 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7060    1.0473    0.2338 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3553    1.2906    0.2360 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1647    2.5753    0.3996 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9488   -0.1387   -0.0587 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6259   -1.4193   -0.2036 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3098    1.5573    0.2114 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7408   -1.9206   -0.2281 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9072   -2.8755   -1.2226 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2248   -0.4910    0.0586 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4292    1.8634    0.3620 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5115    3.3170    0.5165 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