Structure database (LMSD)

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LM IDLMPK09000016
Common Name-
Systematic Name2-Methyl-1,7-dioxaspiro[5.5]undecane
Synonyms-
Exact Mass
170.1307 (neutral)    Calculate m/z:
FormulaC10H18O2
CategoryPolyketides [PK]
Main ClassPolyether antibiotics [PK09]
Sub Class-
PubChem CID12705588
InChIKeySXANEOXSBPWLFG-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C10H18O2/c1-9-5-4-7-10(12-9)6-2-3-8-11-10/h9H,2-8H2,1H3
SMILESO1C2(CCCCO2)CCCC1C
StatusActive
CommentsPherobase Semiochemicals
Calculated physicochemical properties (?):
 Heavy Atoms12Rings2Aromatic Rings0Rotatable Bonds0
 van der Waals
Molecular Volume
174.42Topological Polar
Surface Area
22.60Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
2
 logP3.33Molar
Refractivity
48.45