Structure database (LMSD)

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LM IDLMPK09000011
Common Name-
Systematic Name2-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 CID568216
InChIKeyJQEFEBJVAHPKHX-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C9H16O2/c1-8-4-6-9(11-8)5-2-3-7-10-9/h8H,2-7H2,1H3
SMILESO1C2(CCCCO2)CCC1C
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