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
    2.2244    1.7113   -0.6017 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8157    0.4740   -0.7271 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5218    0.0272   -0.2368 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3737    0.8575    0.3944 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6158    0.4225    0.8635 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4861    1.3133    1.4984 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9645   -0.8977    0.6883 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0637   -1.7233    0.0558 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1580   -1.2997   -0.4067 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0572   -2.1397   -1.0421 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2116    2.0374   -0.9796 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6334    2.4730   -0.1310 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4691   -0.2318   -1.2126 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1262    1.9158    0.5499 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1971    2.2609    1.6061 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9054   -1.3073    1.0231 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2833   -2.7888   -0.1145 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9246   -3.1046   -1.2273 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