Structure database (LMSD)

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LM IDLMPK09000033
Common Name-
Systematic Name2,7-Dipropyl-1,6-dioxaspiro[4.4]nonane
Synonyms-
Exact Mass
212.1776 (neutral)    Calculate m/z:
FormulaC13H24O2
CategoryPolyketides [PK]
Main ClassPolyether antibiotics [PK09]
Sub Class-
PubChem CID13227785
InChIKeyLPKNCNDPYXUXOL-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C13H24O2/c1-3-5-11-7-9-13(14-11)10-8-12(15-13)6-4-2/h11-12H,3-10H2,1-2H
3
SMILESO1C2(CCC(CCC)O2)CCC1CCC
StatusActive
CommentsPherobase Semiochemicals
Calculated physicochemical properties (?):
 Heavy Atoms15Rings2Aromatic Rings0Rotatable Bonds4
 van der Waals
Molecular Volume
226.32Topological Polar
Surface Area
22.60Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
2
 logP4.50Molar
Refractivity
62.30