Structure Database (LMSD)

OH O
Common Name
(1S,4R)-1-Hydroxy-2-oxolimonene
Systematic Name
Synonyms
LM ID
LMPR0102090042
Formula
C10H16O2
Exact Mass
Calculate m/z
168.11503
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

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)
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
C11937
CHEBI ID
38249
PubChem CID
443522

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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Updated at
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