Structure Database (LMSD)

Systematic Name
(6R,8S)-2,2,8-Trimethyl-1,7-dioxaspiro[5.5]undecane
Synonyms
LM ID
LMPK09000019
Status
Active
Exact Mass
Calculate m/z
198.16198
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)
YYHUMKLNIINDOW-CMPLNLGQSA-N
InChi (Click to copy)
InChI=1S/C12H22O2/c1-10-6-4-8-12(13-10)9-5-7-11(2,3)14-12/h10H,4-9H2,1-3H3/t10-,12+/m0/s1
SMILES (Click to copy)
O1[C@]2(CCC[C@H](C)O2)CCCC1(C)C

References

Comments
Pherobase Semiochemicals

Other Databases

PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 14
Rings 2
Aromatic Rings 0
Rotatable Bonds 0
Van der Waals Molecular Volume 209.02
Topological Polar Surface Area 22.60
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 4.11
Molar Refractivity 57.68

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Created at
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Updated at
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