Structure Database (LMSD)

Systematic Name
1,7-Dioxaspiro[5.6]dodecane
Synonyms
LM ID
LMPK09000017
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
Dacus (#164853)
Insecta (#50557)
Chemistry of fruit flies. Composition of the rectal gland secretion of (male) Dacus cucumis (cucumber fly) and Dacus halfordiae. Characterization of (Z,Z)-2,8-dimethyl-1,7-dioxaspiro[5.5]undecane,
J Org Chem, 1989

String Representations

InChiKey (Click to copy)
DSBZEBGTDAPRJV-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C10H18O2/c1-2-6-10(11-8-4-1)7-3-5-9-12-10/h1-9H2
SMILES (Click to copy)
O1C2(CCCCCO2)CCCC1

Other Databases

CHEBI ID
180241
PubChem CID
14713423

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
28th Nov 2025