Structure Database (LMSD)

Systematic Name
2-Methyl-1,7-dioxaspiro[5.6]dodecane
Synonyms
LM ID
LMPK09000021
Formula
C11H20O2
Exact Mass
Calculate m/z
184.14633
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
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)
WLQFFPNTGKKCAI-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C11H20O2/c1-10-6-5-8-11(13-10)7-3-2-4-9-12-11/h10H,2-9H2,1H3
SMILES (Click to copy)
O1C2(CCCCCO2)CCCC1C

Other Databases

CHEBI ID
196472
PubChem CID
14729907

Calculated Physicochemical Properties

Heavy Atoms 13
Rings 2
Aromatic Rings 0
Rotatable Bonds 0
Van der Waals Molecular Volume 191.72
Topological Polar Surface Area 22.60
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 3.72
Molar Refractivity 53.06

Admin

Created at
-
Updated at
7th Nov 2025