Structure database (LMSD)

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LM IDLMPR0102120042
Common Name(-)-5-oxo-1,2-campholide
Systematic Name(1R,5R)-1,8,8-trimethyl-2-oxabicyclo[3.2.1]octane-3,6-dione
Synonyms5-Oxo-1,2-campholide; 5-oxo-1,2-campholide
Exact Mass
182.0943 (neutral)    Calculate m/z:
FormulaC10H14O3
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassC10 isoprenoids (monoterpenes) [PR0102]
Class Level 4Bicyclic monoterpenoids [PR010212]
PubChem CID21145039
KEGG IDC02952
CHEBI ID18130
InChIKeyUDJVKSCOEHSXBZ-QUBYGPBYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C10H14O3/c1-9(2)6-4-8(12)13-10(9,3)5-7(6)11/h6H,4-5H2,1-3H3/t6-,10+/m0/
s1
SMILESC1[C@@H]2C(C)(C)[C@](C)(OC1=O)CC2=O
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms13Rings2Aromatic Rings0Rotatable Bonds0
 van der Waals
Molecular Volume
177.93Topological Polar
Surface Area
45.44Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
3
 logP1.59Molar
Refractivity
46.52