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
    2.8724   -0.7396    0.2782 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6640   -1.1652    0.0897 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4303   -0.4171   -0.0272 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7478   -1.0982   -0.4070 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9188   -0.3950   -0.5105 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0664   -1.1004   -0.8888 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9886    0.9590   -0.2560 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8573    1.6489    0.1160 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3421    0.9282    0.2220 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4652    1.6443    0.5990 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7327   -1.4335    0.3493 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1249    0.2879    0.3710 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5872   -2.2802    0.0107 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6718   -2.1546   -0.6015 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6038   -1.4945   -0.1077 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9469    1.4717   -0.3533 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8426    2.7058    0.3290 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4252    2.6325    0.7872 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