Structure Database (LMSD)

Common Name
(1S,4R)-1-Hydroxy-2-oxolimonene
Systematic Name
Synonyms
LM ID
LMPR0102090042
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)
JEQLRDRDFLXSHY-SCZZXKLOSA-N
InChi (Click to copy)
InChI=1S/C10H16O2/c1-7(2)8-4-5-10(3,12)9(11)6-8/h8,12H,1,4-6H2,2-3H3/t8-,10+/m1/s1
SMILES (Click to copy)
[C@]1(O)(C)CC[C@@H](C(C)=C)CC1=O

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 1.97
Molar Refractivity 48.30

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Created at
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Updated at
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