Structure database (LMSD)

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LM IDLMPR0102120043
Common Name1,2-campholide
Systematic Name1,8,8-trimethyl-2-oxabicyclo[3.2.1]octan-3-one
Synonyms1,2-Campholide
Exact Mass
168.1150 (neutral)    Calculate m/z:
FormulaC10H16O2
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassC10 isoprenoids (monoterpenes) [PR0102]
Class Level 4Bicyclic monoterpenoids [PR010212]
PubChem CID274476
KEGG IDC02108
HMDB IDHMDB0037821
CHEBI ID488
InChIKeyAXRMSBLBSHJLGO-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C10H16O2/c1-9(2)7-4-5-10(9,3)12-8(11)6-7/h7H,4-6H2,1-3H3
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SMILES
C1C2C(C)(C)C(OC1=O)(C)CC2
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms12Rings2Aromatic Rings0Rotatable Bonds0
 van der Waals
Molecular Volume
171.78Topological Polar
Surface Area
28.37Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
2
 logP2.41Molar
Refractivity
46.13