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
   -2.8591   -0.6837   -0.0443 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6946   -1.0665   -0.4597 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4676   -0.3778   -0.1463 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7414   -1.0854   -0.2851 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9457   -0.5083   -0.0290 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1236   -1.2556   -0.1822 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0213    0.8068    0.3805 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8713    1.5346    0.5291 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3638    0.9205    0.2592 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5179    1.6796    0.4137 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0275    0.1611    0.5604 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7552   -1.2531   -0.3207 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6219   -1.9680   -1.0931 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6791   -2.1253   -0.6085 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5570   -1.2247   -1.1077 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0060    1.2373    0.5775 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8522    2.5645    0.8447 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4898    2.6439    0.7115 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