Structure Database (LMSD)

Systematic Name
2-Ethyl-8-methyl-1,7-dioxaspiro[5.5]undecane
Synonyms
LM ID
LMPK09000031
Formula
C12H22O2
Exact Mass
Calculate m/z
198.16198
Status
Curated
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)
ICQGEBLJYVWKBA-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C12H22O2/c1-3-11-7-5-9-12(14-11)8-4-6-10(2)13-12/h10-11H,3-9H2,1-2H3
SMILES (Click to copy)
O1C2(CCCC(C)O2)CCCC1CC

Other Databases

CHEBI ID
179195
PubChem CID
14271012

Calculated Physicochemical Properties

Heavy Atoms 14
Rings 2
Aromatic Rings 0
Rotatable Bonds 1
Van der Waals Molecular Volume 209.02
Topological Polar Surface Area 22.60
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 4.11
Molar Refractivity 57.68

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Created at
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Updated at
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