Structure database (LMSD)

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LM IDLMPK09000019
Common Name-
Systematic Name(6R,8S)-2,2,8-Trimethyl-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 CID15867429
InChIKeyYYHUMKLNIINDOW-CMPLNLGQSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C12H22O2/c1-10-6-4-8-12(13-10)9-5-7-11(2,3)14-12/h10H,4-9H2,1-3H3/t10-,
12+/m0/s1
SMILESO1[C@]2(CCC[C@H](C)O2)CCCC1(C)C
StatusActive
CommentsPherobase Semiochemicals
Calculated physicochemical properties (?):
 Heavy Atoms14Rings2Aromatic Rings0Rotatable Bonds0
 van der Waals
Molecular Volume
209.02Topological Polar
Surface Area
22.60Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
2
 logP4.11Molar
Refractivity
57.68