Structure Database (LMSD)

Systematic Name
2-Methyl-7-propyl-1,6-dioxaspiro[4.4]nonane
Synonyms
LM ID
LMPK09000028
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

String Representations

InChiKey (Click to copy)
PUPIVPWLXXWZOG-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C11H20O2/c1-3-4-10-6-8-11(13-10)7-5-9(2)12-11/h9-10H,3-8H2,1-2H3
SMILES (Click to copy)
O1C2(CCC(CCC)O2)CCC1C

Other Databases

CHEBI ID
196478
PubChem CID
14729893

Calculated Physicochemical Properties

Heavy Atoms 13
Rings 2
Aromatic Rings 0
Rotatable Bonds 2
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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