Structure Database (LMSD)

Systematic Name
8-Methyl-2-propyl-1,7-dioxaspiro[5.5]undecane
Synonyms
LM ID
LMPK09000035
Formula
C13H24O2
Exact Mass
Calculate m/z
212.17763
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Polyether antibiotics [PK09]

String Representations

InChiKey (Click to copy)
QXUAOIHBLJZVTQ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C13H24O2/c1-3-6-12-8-5-10-13(15-12)9-4-7-11(2)14-13/h11-12H,3-10H2,1-2H3
SMILES (Click to copy)
O1C2(CCCC(C)O2)CCCC1CCC

References

Comments
Pherobase Semiochemicals

Other Databases

PubChem CID
14271034

Calculated Physicochemical Properties

Heavy Atoms 15
Rings 2
Aromatic Rings 0
Rotatable Bonds 2
Van der Waals Molecular Volume 226.32
Topological Polar Surface Area 22.60
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 4.50
Molar Refractivity 62.30

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Updated at
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