Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMPK09000027
Common Name-
Systematic Name2,7-Dimethyl-1,6-dioxaspiro[4.6]undecane
Synonyms-
Exact Mass
184.1463 (neutral)    Calculate m/z:
FormulaC11H20O2
CategoryPolyketides [PK]
Main ClassPolyether antibiotics [PK09]
Sub Class-
PubChem CID13778215
InChIKeyKVPPDUFKHOTABV-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C11H20O2/c1-9-5-3-4-7-11(12-9)8-6-10(2)13-11/h9-10H,3-8H2,1-2H3
SMILESO1C2(CCCCC(C)O2)CCC1C
StatusActive
CommentsPherobase Semiochemicals
Calculated physicochemical properties (?):
 Heavy Atoms13Rings2Aromatic Rings0Rotatable Bonds0
 van der Waals
Molecular Volume
191.72Topological Polar
Surface Area
22.60Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
2
 logP3.72Molar
Refractivity
53.06