Structure Database (LMSD)

Systematic Name
2S-Ethyl-7-methyl-1,6-dioxaspiro[4.5]decane
Synonyms
LM ID
LMPK09000026
Formula
C11H20O2
Exact Mass
Calculate m/z
184.14633
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)
QPZCAIDDTOIXQQ-YVNMAJEFSA-N
InChi (Click to copy)
InChI=1S/C11H20O2/c1-3-10-6-8-11(13-10)7-4-5-9(2)12-11/h9-10H,3-8H2,1-2H3/t9?,10-,11?/m0/s1
SMILES (Click to copy)
O1C2(CCCC(C)O2)CC[C@@H]1CC

Other Databases

CHEBI ID
196476
PubChem CID
56940671

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

Admin

Created at
-
Updated at
-