Structure Database (LMSD)

Systematic Name
3-Hydroxy-2,8-dimethyl-1,7-dioxaspiro[5.5]undecane
Synonyms
LM ID
LMPK09000029
Formula
C11H20O3
Exact Mass
Calculate m/z
200.141245
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)
FHLZKMYUVAGRFB-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C11H20O3/c1-8-4-3-6-11(13-8)7-5-10(12)9(2)14-11/h8-10,12H,3-7H2,1-2H3
SMILES (Click to copy)
O1C2(CCCC(C)O2)CCC(O)C1C

Other Databases

CHEBI ID
168313
PubChem CID
14752691

Calculated Physicochemical Properties

Heavy Atoms 14
Rings 2
Aromatic Rings 0
Rotatable Bonds 0
Van der Waals Molecular Volume 200.51
Topological Polar Surface Area 42.83
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 3
logP 2.98
Molar Refractivity 54.96

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Created at
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Updated at
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