Structure Database (LMSD)

Common Name
7-Ethyl-4-tridecen-6-one
Systematic Name
7-Ethyl-4-tridecen-6-one
Synonyms
LM ID
LMFA12000261
Status
Active
Exact Mass
Calculate m/z
224.214015
Formula
C15H28O
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)
AXQLANMOWATYMV-JLHYYAGUSA-N
InChi (Click to copy)
InChI=1S/C15H28O/c1-4-7-9-11-12-14(6-3)15(16)13-10-8-5-2/h10,13-14H,4-9,11-12H2,1-3H3/b13-10+
SMILES (Click to copy)
CCC/C=C/C(=O)C(CC)CCCCCC

References

Other Databases

PubChem CID
11701351

Calculated Physicochemical Properties

Heavy Atoms 16
Rings 0
Aromatic Rings 0
Rotatable Bonds 10
Van der Waals Molecular Volume 271.57
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 4.91
Molar Refractivity 71.60

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Updated at
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