Structure database (LMSD)

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LM IDLMPK09000032
Common Name-
Systematic Name2,7-Diethyl-1,6-dioxaspiro[4.5]decane
Synonyms-
Exact Mass
198.1620 (neutral)    Calculate m/z:
FormulaC12H22O2
CategoryPolyketides [PK]
Main ClassPolyether antibiotics [PK09]
Sub Class-
PubChem CID56940672
InChIKeyIWEQWVHHNRXINS-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C12H22O2/c1-3-10-6-5-8-12(13-10)9-7-11(4-2)14-12/h10-11H,3-9H2,1-2H3
SMILESO1C2(CCCC(CC)O2)CCC1CC
StatusActive
CommentsPherobase Semiochemicals
Calculated physicochemical properties (?):
 Heavy Atoms14Rings2Aromatic Rings0Rotatable Bonds2
 van der Waals
Molecular Volume
209.02Topological Polar
Surface Area
22.60Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
2
 logP4.11Molar
Refractivity
57.68