Structure Database (LMSD)

Systematic Name
2-Methyl-1,6-dioxaspiro[4.5]decane
Synonyms
LM ID
LMPK09000011
Formula
C9H16O2
Exact Mass
Calculate m/z
156.11503
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Polyether antibiotics [PK09]

References

Comments
Pherobase Semiochemicals

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Vespula vulgaris (#7454)
Insecta (#50557)
Methyl-1,6-dioxaspiro [4.5]decane als Duftstoffe von Paravespula vulgaris (L.),
Angew Chem, 1978

String Representations

InChiKey (Click to copy)
JQEFEBJVAHPKHX-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C9H16O2/c1-8-4-6-9(11-8)5-2-3-7-10-9/h8H,2-7H2,1H3
SMILES (Click to copy)
O1C2(CCCCO2)CCC1C

Other Databases

CHEBI ID
195750
PubChem CID
568216

Calculated Physicochemical Properties

Heavy Atoms 11
Rings 2
Aromatic Rings 0
Rotatable Bonds 0
Van der Waals Molecular Volume 157.12
Topological Polar Surface Area 22.60
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 2.94
Molar Refractivity 43.83

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Created at
-
Updated at
14th Nov 2025