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
   -2.8532   -0.1221    0.1040 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7635   -0.6218    0.6411 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4244   -0.1905    0.2232 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5050   -1.1909   -0.1082 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7736   -0.8457   -0.4978 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6798   -1.8558   -0.8223 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1267    0.4843   -0.5609 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2542    1.4917   -0.2461 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0460    1.1298    0.1540 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9265    2.1409    0.4810 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8392   -0.4474    0.4230 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8544    0.6091   -0.6852 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8848   -1.3741    1.4143 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1702   -2.2289   -0.0403 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2970   -2.2857   -0.1357 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1235    0.7743   -0.8671 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5111    2.5410   -0.2890 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8492    1.9920    0.8119 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