Structure Database (LMSD)
Systematic Name
(4R,6S)-4-Hydroxy-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)
ITVCIGAVUFJFJY-BDAKNGLRSA-N
InChi (Click to copy)
InChI=1S/C9H16O3/c10-8-3-6-12-9(7-8)4-1-2-5-11-9/h8,10H,1-7H2/t8-,9+/m1/s1
SMILES (Click to copy)
O1[C@@]2(CCCCO2)C[C@H](O)CC1
References
Calculated Physicochemical Properties
Heavy Atoms
12
Rings
2
Aromatic Rings
0
Rotatable Bonds
0
Van der Waals Molecular Volume
165.91
Topological Polar Surface Area
42.83
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
3
logP
2.20
Molar Refractivity
45.73
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Created at
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Updated at
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