Structure Database (LMSD)

Systematic Name
(6R,8S)-2,2,8-Trimethyl-1,7-dioxaspiro[5.5]undecane
Synonyms
LM ID
LMPK09000019
Formula
C12H22O2
Exact Mass
Calculate m/z
198.16198
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)
YYHUMKLNIINDOW-CMPLNLGQSA-N
InChi (Click to copy)
InChI=1S/C12H22O2/c1-10-6-4-8-12(13-10)9-5-7-11(2,3)14-12/h10H,4-9H2,1-3H3/t10-,12+/m0/s1
SMILES (Click to copy)
O1[C@]2(CCC[C@H](C)O2)CCCC1(C)C

Other Databases

CHEBI ID
179192
PubChem CID
15867429

Calculated Physicochemical Properties

Heavy Atoms 14
Rings 2
Aromatic Rings 0
Rotatable Bonds 0
Van der Waals Molecular Volume 209.02
Topological Polar Surface Area 22.60
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 4.11
Molar Refractivity 57.68

Admin

Created at
-
Updated at
-