Structure database (LMSD)

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LM IDLMPK09000020
Common Name-
Systematic Name2-Ethyl-1,7-dioxaspiro[5.5]undecane
Synonyms-
Exact Mass
184.1463 (neutral)    Calculate m/z:
FormulaC11H20O2
CategoryPolyketides [PK]
Main ClassPolyether antibiotics [PK09]
Sub Class-
PubChem CID56940669
InChIKeyXEIORBGGNNMWTB-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C11H20O2/c1-2-10-6-5-8-11(13-10)7-3-4-9-12-11/h10H,2-9H2,1H3
SMILESO1C2(CCCCO2)CCCC1CC
StatusActive
CommentsPherobase Semiochemicals
Calculated physicochemical properties (?):
 Heavy Atoms13Rings2Aromatic Rings0Rotatable Bonds1
 van der Waals
Molecular Volume
191.72Topological Polar
Surface Area
22.60Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
2
 logP3.72Molar
Refractivity
53.06