Structure Database (LMSD)

Common Name
Nonan-2,5-dione
Systematic Name
Nonan-2,5-dione
Synonyms
LM ID
LMFA12000244
Status
Active
Exact Mass
Calculate m/z
156.11503
Formula
C9H16O2
Show lipids differing only in stereochemistry/bond geometry
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MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Oxygenated hydrocarbons [FA12]

String Representations

InChiKey (Click to copy)
LWOMTZPPFKJNPA-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C9H16O2/c1-3-4-5-9(11)7-6-8(2)10/h3-7H2,1-2H3
SMILES (Click to copy)
CC(=O)CCC(=O)CCCC

References

Other Databases

PubChem CID
11126503

Calculated Physicochemical Properties

Heavy Atoms 11
Rings 0
Aromatic Rings 0
Rotatable Bonds 6
Van der Waals Molecular Volume 176.56
Topological Polar Surface Area 34.14
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 2.11
Molar Refractivity 44.45

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Created at
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Updated at
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