Structure Database (LMSD)

Common Name
Plastoquinol-1
Systematic Name
2,3-dimethyl-5-(3-methylbut-2-enyl)-benzene-1,4-diol
Synonyms
  • PQ-1
LM ID
LMPR02010037
Status
Active
Exact Mass
Calculate m/z
206.13068
Formula


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
WKFUDLTXRQQGHB-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C13H18O2/c1-8(2)5-6-11-7-12(14)9(3)10(4)13(11)15/h5,7,14-15H,6H2,1-4H3
SMILES (Click to copy)
C1(=CC(=C(C(C)=C1O)C)O)C/C=C(\C)/C

References

Other Databases

KEGG ID
CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 15
Rings 1
Aromatic Rings 1
Rotatable Bonds 2
Van der Waals Molecular Volume 217.22
Topological Polar Surface Area 40.46
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 2
logP 3.22
Molar Refractivity 62.38

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Created at
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Updated at
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