Structure database (LMSD)

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LM IDLMPK09000029
Common Name-
Systematic Name3-Hydroxy-2,8-dimethyl-1,7-dioxaspiro[5.5]undecane
Synonyms-
Exact Mass
200.1412 (neutral)    Calculate m/z:
FormulaC11H20O3
CategoryPolyketides [PK]
Main ClassPolyether antibiotics [PK09]
Sub Class-
PubChem CID14752691
InChIKeyFHLZKMYUVAGRFB-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C11H20O3/c1-8-4-3-6-11(13-8)7-5-10(12)9(2)14-11/h8-10,12H,3-7H2,1-2H3
SMILESO1C2(CCCC(C)O2)CCC(O)C1C
StatusActive
CommentsPherobase Semiochemicals
Calculated physicochemical properties (?):
 Heavy Atoms14Rings2Aromatic Rings0Rotatable Bonds0
 van der Waals
Molecular Volume
200.51Topological Polar
Surface Area
42.83Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
3
 logP2.98Molar
Refractivity
54.96