Structure Database (LMSD)

Systematic Name
2-Ethyl-1,7-dioxaspiro[5.5]undecane
Synonyms
LM ID
LMPK09000020
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

String Representations

InChiKey (Click to copy)
XEIORBGGNNMWTB-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C11H20O2/c1-2-10-6-5-8-11(13-10)7-3-4-9-12-11/h10H,2-9H2,1H3
SMILES (Click to copy)
O1C2(CCCCO2)CCCC1CC

Other Databases

CHEBI ID
196475
PubChem CID
56940669

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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Updated at
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