Structure database (LMSD)

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LM IDLMPK09000034
Common Name-
Systematic Name7-Butyl-2-methyl-1,6-dioxaspiro[4.5]decane
Synonyms-
Exact Mass
212.1776 (neutral)    Calculate m/z:
FormulaC13H24O2
CategoryPolyketides [PK]
Main ClassPolyether antibiotics [PK09]
Sub Class-
PubChem CID14271033
InChIKeyYJXRBYWOYOXYFN-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C13H24O2/c1-3-4-6-12-7-5-9-13(15-12)10-8-11(2)14-13/h11-12H,3-10H2,1-2H
3
SMILESO1C2(CCCC(CCCC)O2)CCC1C
StatusActive
CommentsPherobase Semiochemicals
Calculated physicochemical properties (?):
 Heavy Atoms15Rings2Aromatic Rings0Rotatable Bonds3
 van der Waals
Molecular Volume
226.32Topological Polar
Surface Area
22.60Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
2
 logP4.50Molar
Refractivity
62.30