Structure Database (LMSD)

Systematic Name
(4S,6S)-4-Hydroxy-1,7-dioxaspiro[5.5]undecane
Synonyms
LM ID
LMPK09000008
Status
Active
Exact Mass
Calculate m/z
172.109945
Formula


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
ITVCIGAVUFJFJY-IUCAKERBSA-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-/m0/s1
SMILES (Click to copy)
O1[C@@]2(CCCCO2)C[C@@H](O)CC1

References

Comments
Pherobase Semiochemicals

Other Databases

PubChem CID

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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