Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMPK09000009
Common Name-
Systematic Name(5R,7S)-7-Methyl-1,6-dioxaspiro[4.5]decane
Synonyms-
Exact Mass
156.1150 (neutral)    Calculate m/z:
FormulaC9H16O2
CategoryPolyketides [PK]
Main ClassPolyether antibiotics [PK09]
Sub Class-
PubChem CID12571167
InChIKeyXNNASGSBOJGKAZ-DTWKUNHWSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C9H16O2/c1-8-4-2-5-9(11-8)6-3-7-10-9/h8H,2-7H2,1H3/t8-,9+/m0/s1
SMILESO1[C@@]2(CCC[C@H](C)O2)CCC1
StatusActive
CommentsPherobase Semiochemicals
Calculated physicochemical properties (?):
 Heavy Atoms11Rings2Aromatic Rings0Rotatable Bonds0
 van der Waals
Molecular Volume
157.12Topological Polar
Surface Area
22.60Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
2
 logP2.94Molar
Refractivity
43.83