Structure database (LMSD)

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LM IDLMPK09000018
Common Name-
Systematic Name(2S,6R,8S)-2,8-Dimethyl-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 CID11298351
InChIKeyAHOKGTBIWXGZNE-OUAUKWLOSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C11H20O2/c1-9-5-3-7-11(12-9)8-4-6-10(2)13-11/h9-10H,3-8H2,1-2H3/t9-,10+
,11-/m1/s1
SMILESO1[C@]2(CCC[C@@H](C)O2)CCC[C@@H]1C
StatusActive
CommentsPherobase Semiochemicals
Calculated physicochemical properties (?):
 Heavy Atoms13Rings2Aromatic Rings0Rotatable Bonds0
 van der Waals
Molecular Volume
191.72Topological Polar
Surface Area
22.60Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
2
 logP3.72Molar
Refractivity
53.06