Structure Database (LMSD)

Systematic Name
1,6-Dioxaspiro[4.5]decane
Synonyms
LM ID
LMPK09000003
Formula
C8H14O2
Exact Mass
Calculate m/z
142.09938
Status
Active
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 (#43391)
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)
HZWQUQZFYLDNPC-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C8H14O2/c1-2-6-9-8(4-1)5-3-7-10-8/h1-7H2
SMILES (Click to copy)
O1C2(CCCCO2)CCC1

Other Databases

CHEBI ID
180302
PubChem CID
10888019

Calculated Physicochemical Properties

Heavy Atoms 10
Rings 2
Aromatic Rings 0
Rotatable Bonds 0
Van der Waals Molecular Volume 139.82
Topological Polar Surface Area 22.60
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 2.55
Molar Refractivity 39.21

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Created at
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Updated at
9th Sep 2024