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
    2.9844    0.3723   -0.7208 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8148    0.9320   -0.7996 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5264    0.3900   -0.4413 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6073    1.2052   -0.3507 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8562    0.7361   -0.0250 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9346    1.6090    0.0450 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0599   -0.5983    0.2360 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9657   -1.4203    0.1542 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3134   -0.9461   -0.1785 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3443   -1.8620   -0.2339 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8548    0.9221   -1.0344 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1215   -0.6067   -0.3519 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7620    1.9778   -1.2013 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4469    2.2703   -0.5572 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8615    1.3422    0.2734 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0215   -1.0054    0.4945 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1113   -2.4933    0.3605 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1433   -2.8249   -0.0351 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