Structure Database (LMSD)

Systematic Name
(S)-1,7-Dioxaspiro[5.5]undecane
Synonyms
LM ID
LMPK09000013
Formula
C9H16O2
Exact Mass
Calculate m/z
156.11503
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

String Representations

InChiKey (Click to copy)
GBBVHDGKDQAEOT-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C9H16O2/c1-3-7-10-9(5-1)6-2-4-8-11-9/h1-8H2
SMILES (Click to copy)
[C@@]12(OCCCC1)CCCCO2

Other Databases

CHEBI ID
195752
PubChem CID
67437

Calculated Physicochemical Properties

Heavy Atoms 11
Rings 2
Aromatic Rings 0
Rotatable Bonds 0
Van der Waals Molecular Volume 157.12
Topological Polar Surface Area 22.60
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 2.94
Molar Refractivity 43.83

Admin

Created at
-
Updated at
-