Structure database (LMSD)

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LM IDLMPK09000003
Common Name-
Systematic Name1,6-Dioxaspiro[4.5]decane
Synonyms-
Exact Mass
142.0994 (neutral)    Calculate m/z:
FormulaC8H14O2
CategoryPolyketides [PK]
Main ClassPolyether antibiotics [PK09]
Sub Class-
PubChem CID10888019
InChIKeyHZWQUQZFYLDNPC-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C8H14O2/c1-2-6-9-8(4-1)5-3-7-10-8/h1-7H2
SMILESO1C2(CCCCO2)CCC1
StatusActive
CommentsPherobase Semiochemicals
Calculated physicochemical properties (?):
 Heavy Atoms10Rings2Aromatic Rings0Rotatable Bonds0
 van der Waals
Molecular Volume
139.82Topological Polar
Surface Area
22.60Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
2
 logP2.55Molar
Refractivity
39.21