Structure Database (LMSD)

Common Name
1,2-campholide
Systematic Name
1,8,8-trimethyl-2-oxabicyclo[3.2.1]octan-3-one
Synonyms
  • 1,2-Campholide
LM ID
LMPR0102120043
Status
Active
Exact Mass
Calculate m/z
168.11503
Formula


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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-UHFFFAOYSA-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
SMILES (Click to copy)
C1C2C(C)(C)C(OC1=O)(C)CC2

References

Other Databases

KEGG ID
HMDB ID
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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