Structure Database (LMSD)
Systematic Name
(5S,7S)-7-Methyl-1,6-dioxaspiro[4.5]decane
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)
XNNASGSBOJGKAZ-IUCAKERBSA-N
InChi (Click to copy)
InChI=1S/C9H16O2/c1-8-4-2-5-9(11-8)6-3-7-10-9/h8H,2-7H2,1H3/t8-,9-/m0/s1
SMILES (Click to copy)
O1[C@]2(CCC[C@H](C)O2)CCC1
References
Comments
Pherobase Semiochemicals
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Cryphalus piceae
(#1586473)
Insecta
(#50557)
E-7-methyl-1,6-dioxaspiro[4.5]decane in the chemical communication of European Scolytidae and Nitidulidae (Coleoptera),
J Appl Entomol, 1992
J Appl Entomol, 1992
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
11
Rings
2
Aromatic Rings
0
Rotatable Bonds
0
Van der Waals Molecular Volume
157.12
Topological Polar Surface Area
22.60
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
logP
2.94
Molar Refractivity
43.83
Admin
Created at
-
Updated at
9th Sep 2024