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
    2.8605   -0.5523    0.5668 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6617   -1.0189    0.5555 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4366   -0.3646    0.1427 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7258   -1.1595    0.0115 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9099   -0.5926   -0.3652 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0515   -1.3997   -0.4894 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9570    0.7605   -0.6149 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8607    1.5613   -0.5000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3618    0.9856   -0.1126 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4848    1.7901    0.0095 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1396    0.4283    0.2593 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7001   -1.1743    0.9121 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5644   -2.0665    0.9170 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6594   -2.2395    0.2168 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6864   -1.5703    0.2772 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8986    1.2117   -0.9146 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8544    2.6252   -0.6863 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3939    2.7756   -0.1854 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