Structure Database (LMSD)

Common Name
diosphenol
Systematic Name
2-hydroxy-3-methyl-6-(propan-2-yl)cyclohex-2-en-1-one
Synonyms
  • 2-Hydroxy-6-isopropyl-3-methyl-2-cyclohexen-1-one
  • 2-Hydroxypiperitone
  • Barosma camphor
  • Buccocamphor
  • Buchu camphor
  • Diosphenol
LM ID
LMPR0102090061
Status
Active
Exact Mass
Calculate m/z
168.11503
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)
QSIMLPCPCXVYDD-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C10H16O2/c1-6(2)8-5-4-7(3)9(11)10(8)12/h6,8,11H,4-5H2,1-3H3
SMILES (Click to copy)
C1CC(C(C)C)C(=O)C(O)=C1C

References

Other Databases

KEGG ID
CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 12
Rings 1
Aromatic Rings 0
Rotatable Bonds 1
Van der Waals Molecular Volume 181.50
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 2.45
Molar Refractivity 47.90

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Created at
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Updated at
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