Structure Database (LMSD)
Systematic Name
(2S,6R,8S)-2,8-Dimethyl-1,7-dioxaspiro[5.5]undecane
Synonyms
3D model of
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
String Representations
InChiKey (Click to copy)
AHOKGTBIWXGZNE-OUAUKWLOSA-N
InChi (Click to copy)
InChI=1S/C11H20O2/c1-9-5-3-7-11(12-9)8-4-6-10(2)13-11/h9-10H,3-8H2,1-2H3/t9-,10+,11-/m1/s1
SMILES (Click to copy)
O1[C@]2(CCC[C@@H](C)O2)CCC[C@@H]1C
References
Calculated Physicochemical Properties
Heavy Atoms
13
Rings
2
Aromatic Rings
0
Rotatable Bonds
0
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
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Created at
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Updated at
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