Structure Database (LMSD)

Common Name
3-Ethyltridecan-2-one
Systematic Name
3-Ethyltridecan-2-one
Synonyms
LM ID
LMFA12000258
Status
Active
Exact Mass
Calculate m/z
226.229665
Formula
C15H30O
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)
OPZHSCZARXUPAR-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C15H30O/c1-4-6-7-8-9-10-11-12-13-15(5-2)14(3)16/h15H,4-13H2,1-3H3
SMILES (Click to copy)
CC(=O)C(CC)CCCCCCCCCC

References

Other Databases

CHEBI ID
169641
PubChem CID
10561241

Calculated Physicochemical Properties

Heavy Atoms 16
Rings 0
Aromatic Rings 0
Rotatable Bonds 11
Van der Waals Molecular Volume 274.21
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 5.13
Molar Refractivity 71.69

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Updated at
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