Structure database (LMSD)

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LM IDLMPK09000014
Common Name-
Systematic Name2-Ethyl-1,6-dioxaspiro[4.4]nonane
Synonyms-
Exact Mass
156.1150 (neutral)    Calculate m/z:
FormulaC9H16O2
CategoryPolyketides [PK]
Main ClassPolyether antibiotics [PK09]
Sub Class-
PubChem CID581383
InChIKeyDCWKALWZHORJAO-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C9H16O2/c1-2-8-4-6-9(11-8)5-3-7-10-9/h8H,2-7H2,1H3
SMILESO1C2(CCCO2)CCC1CC
StatusActive
CommentsPherobase Semiochemicals
Calculated physicochemical properties (?):
 Heavy Atoms11Rings2Aromatic Rings0Rotatable Bonds1
 van der Waals
Molecular Volume
157.12Topological Polar
Surface Area
22.60Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
2
 logP2.94Molar
Refractivity
43.83