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
Formula
C10H16O2
Exact Mass
Calculate m/z
168.11503
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Level 4 Class
Prenol Lipids [PR]
Isoprenoids [PR01]
C10 isoprenoids (monoterpenes) [PR0102]
Menthane monoterpenoids [PR010209]

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

Other Databases

KEGG ID
C09854
CHEBI ID
4632
PubChem CID
79023

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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Updated at
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