Structure database (LMSD)

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LM IDLMPR0102120031
Common Name(1R,4S)-fenchone (W)
Systematic Name(1R,4S)-fenchan-2-one
Synonyms(1R,4S)-(+)-fenchone;(1R,4S)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-one
Exact Mass
152.1201 (neutral)    Calculate m/z:
FormulaC10H16O
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassC10 isoprenoids (monoterpenes) [PR0102]
Class Level 4Bicyclic monoterpenoids [PR010212]
PubChem CID82229
KEGG IDC09859
CHEBI ID36612
InChIKeyLHXDLQBQYFFVNW-OIBJUYFYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C10H16O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7H,4-6H2,1-3H3/t7-,10+/m0/s1
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SMILES
C1([C@H]2CC[C@](C)(C2)C1=O)(C)C
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MS SpectraView MoNA MS spectra     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms11Rings2Aromatic Rings0Rotatable Bonds0
 van der Waals
Molecular Volume
162.99Topological Polar
Surface Area
17.07Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
1
 logP2.40Molar
Refractivity
44.24