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
    2.8913    0.1560    0.0886 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7937    0.0356    0.7868 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4319    0.0468    0.2635 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5057   -0.8841    0.7387 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8008   -0.9531    0.3324 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6925   -1.9083    0.8454 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2426   -0.0526   -0.6133 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3504    0.8873   -1.1113 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0171    0.9373   -0.6732 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7482    1.9163   -1.2394 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8576    0.1398    0.5560 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8328    0.2482   -0.9734 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9265   -0.0867    1.8873 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1661   -1.5986    1.4851 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4427   -2.5831    1.5247 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2620   -0.0842   -0.9540 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6837    1.6034   -1.8568 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6815    2.1800   -1.0872 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