Structure Database (LMSD)

Systematic Name
7-Butyl-2-methyl-1,6-dioxaspiro[4.5]decane
Synonyms
LM ID
LMPK09000034
Formula
C13H24O2
Exact Mass
Calculate m/z
212.17763
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)
YJXRBYWOYOXYFN-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C13H24O2/c1-3-4-6-12-7-5-9-13(15-12)10-8-11(2)14-13/h11-12H,3-10H2,1-2H3
SMILES (Click to copy)
O1C2(CCCC(CCCC)O2)CCC1C

Other Databases

CHEBI ID
184446
PubChem CID
14271033

Calculated Physicochemical Properties

Heavy Atoms 15
Rings 2
Aromatic Rings 0
Rotatable Bonds 3
Van der Waals Molecular Volume 226.32
Topological Polar Surface Area 22.60
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 4.50
Molar Refractivity 62.30

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Created at
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Updated at
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