Structure Database (LMSD)

Systematic Name
7-Ethyl-2R-methyl-1,6-dioxaspiro[4.5]decane
Synonyms
LM ID
LMPK09000023
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
Vespula vulgaris (#7454)
Insecta (#50557)
Spiroacetals and Other Venom Constituents as Potential Wasp Attractants,
J Chem Ecol, 1997

String Representations

InChiKey (Click to copy)
CIYDGNLCXUMCGG-KPPDAEKUSA-N
InChi (Click to copy)
InChI=1S/C11H20O2/c1-3-10-5-4-7-11(13-10)8-6-9(2)12-11/h9-10H,3-8H2,1-2H3/t9-,10?,11?/m1/s1
SMILES (Click to copy)
O1C2(CCCC(CC)O2)CC[C@H]1C

Other Databases

CHEBI ID
196474
PubChem CID
56940670

Calculated Physicochemical Properties

Heavy Atoms 13
Rings 2
Aromatic Rings 0
Rotatable Bonds 1
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

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Created at
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Updated at
9th Sep 2024