Structure Database (LMSD)

Common Name
(-)-1,2-campholide
Systematic Name
(1R,5R)-1,8,8-trimethyl-2-oxabicyclo[3.2.1]octan-3-one
Synonyms
LM ID
LMPR0102120041
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)
AXRMSBLBSHJLGO-GMSGAONNSA-N
InChi (Click to copy)
InChI=1S/C10H16O2/c1-9(2)7-4-5-10(9,3)12-8(11)6-7/h7H,4-6H2,1-3H3/t7-,10-/m1/s1
SMILES (Click to copy)
C1[C@@H]2C(C)(C)[C@@](OC1=O)(C)CC2

References

Other Databases

CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 12
Rings 2
Aromatic Rings 0
Rotatable Bonds 0
Van der Waals Molecular Volume 171.78
Topological Polar Surface Area 28.37
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 2.41
Molar Refractivity 46.13

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Created at
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Updated at
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