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
Formula
Exact Mass
Calculate m/z
206.13068
Status
Active

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

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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