Structure Database (LMSD)
Common Name
Plastoquinol-1
Systematic Name
2,3-dimethyl-5-(3-methylbut-2-enyl)-benzene-1,4-diol
Synonyms
- PQ-1
3D model of Plastoquinol-1
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
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
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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