Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMPK09000017
Common Name-
Systematic Name1,7-Dioxaspiro[5.6]dodecane
Synonyms-
Exact Mass
170.1307 (neutral)    Calculate m/z:
FormulaC10H18O2
CategoryPolyketides [PK]
Main ClassPolyether antibiotics [PK09]
Sub Class-
PubChem CID14713423
InChIKeyDSBZEBGTDAPRJV-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C10H18O2/c1-2-6-10(11-8-4-1)7-3-5-9-12-10/h1-9H2
SMILESO1C2(CCCCCO2)CCCC1
StatusActive
CommentsPherobase Semiochemicals
Calculated physicochemical properties (?):
 Heavy Atoms12Rings2Aromatic Rings0Rotatable Bonds0
 van der Waals
Molecular Volume
174.42Topological Polar
Surface Area
22.60Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
2
 logP3.33Molar
Refractivity
48.45