Structure Database (LMSD)

Systematic Name
2,7-Dipropyl-1,6-dioxaspiro[4.4]nonane
Synonyms
LM ID
LMPK09000033
Formula
C13H24O2
Exact Mass
Calculate m/z
212.17763
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
Andrena haemorrhoa (#444401)
Insecta (#50557)
Pheromone Bouquet of the Mandibular Glands in Andrena haemorrhoa F. (Hym., Apoidea),
Z Naturforsch C, 1981

String Representations

InChiKey (Click to copy)
LPKNCNDPYXUXOL-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C13H24O2/c1-3-5-11-7-9-13(14-11)10-8-12(15-13)6-4-2/h11-12H,3-10H2,1-2H3
SMILES (Click to copy)
O1C2(CCC(CCC)O2)CCC1CCC

Other Databases

CHEBI ID
195953
PubChem CID
13227785

Calculated Physicochemical Properties

Heavy Atoms 15
Rings 2
Aromatic Rings 0
Rotatable Bonds 4
Van der Waals Molecular Volume 226.32
Topological Polar Surface Area 22.60
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 4.50
Molar Refractivity 62.30

Admin

Created at
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Updated at
9th Sep 2024