Structure database (LMSD)

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LM IDLMPK09000031
Common Name-
Systematic Name2-Ethyl-8-methyl-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 CID14271012
InChIKeyICQGEBLJYVWKBA-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C12H22O2/c1-3-11-7-5-9-12(14-11)8-4-6-10(2)13-12/h10-11H,3-9H2,1-2H3
SMILESO1C2(CCCC(C)O2)CCCC1CC
StatusActive
CommentsPherobase Semiochemicals
Calculated physicochemical properties (?):
 Heavy Atoms14Rings2Aromatic Rings0Rotatable Bonds1
 van der Waals
Molecular Volume
209.02Topological Polar
Surface Area
22.60Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
2
 logP4.11Molar
Refractivity
57.68