Structure Database (LMSD)
Systematic Name
8-Methyl-2-propyl-1,7-dioxaspiro[5.5]undecane
Synonyms
No other lipid differing only in stereochemistry/bond geometry found
3D model of
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
References
Comments
Pherobase Semiochemicals
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
Other Databases
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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Created at
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Updated at
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