Structure Database (LMSD)

Systematic Name
(2S,6R,8S)-2,8-Dimethyl-1,7-dioxaspiro[5.5]undecane
Synonyms
LM ID
LMPK09000018
Formula
C11H20O2
Exact Mass
Calculate m/z
184.14633
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Polyether antibiotics [PK09]

References

Comments
Pherobase Semiochemicals

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Bactrocera kraussi (#1051279)
Insecta (#50557)
Chemistry of fruit-flies. Spiroacetal-rich secretions in several Bactrocera species from the South-West Pacific region,
J Chem Soc Perkin Trans 1, 1992

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

Other Databases

PubChem CID
11298351

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
9th Sep 2024