Structure database (LMSD)

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LM IDLMPK09000030
Common Name-
Systematic Name2-Propyl-1,7-dioxaspiro[5.5]undecane
Synonyms-
Exact Mass
198.1620 (neutral)    Calculate m/z:
FormulaC12H22O2
CategoryPolyketides [PK]
Main ClassPolyether antibiotics [PK09]
Sub Class-
PubChem CID14729906
InChIKeyYXQHYQQMZIVOTI-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C12H22O2/c1-2-6-11-7-5-9-12(14-11)8-3-4-10-13-12/h11H,2-10H2,1H3
SMILESO1C2(CCCCO2)CCCC1CCC
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