Structure Database (LMSD)

Systematic Name
2-Methyl-1,7-dioxaspiro[5.5]undecane
Synonyms
LM ID
LMPK09000016
Formula
C10H18O2
Exact Mass
Calculate m/z
170.13068
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
Epeolus (#156317)
Insecta (#50557)
Volatile Compounds from Cephalic Secretions of Females in two Cleptoparasite Bee Genera, Epeolus (Hym., Anthophoridae) and Coelioxys (Hym., Megachilidae),
Z Naturforsch C, 1982

String Representations

InChiKey (Click to copy)
SXANEOXSBPWLFG-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C10H18O2/c1-9-5-4-7-10(12-9)6-2-3-8-11-10/h9H,2-8H2,1H3
SMILES (Click to copy)
O1C2(CCCCO2)CCCC1C

Other Databases

CHEBI ID
180242
PubChem CID
12705588

Calculated Physicochemical Properties

Heavy Atoms 12
Rings 2
Aromatic Rings 0
Rotatable Bonds 0
Van der Waals Molecular Volume 174.42
Topological Polar Surface Area 22.60
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 3.33
Molar Refractivity 48.45

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Created at
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Updated at
14th Nov 2025