Structure Database (LMSD)

Common Name
5-Ethyl-2E-undecen-4-one
Systematic Name
5-Ethyl-2E-undecen-4-one
Synonyms
LM ID
LMFA12000250
Formula
C13H24O
Exact Mass
Calculate m/z
196.182715
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

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

String Representations

InChiKey (Click to copy)
OGFAPWMNVLDLSD-BJMVGYQFSA-N
InChi (Click to copy)
InChI=1S/C13H24O/c1-4-7-8-9-11-12(6-3)13(14)10-5-2/h5,10,12H,4,6-9,11H2,1-3H3/b10-5+
SMILES (Click to copy)
C/C=C/C(=O)C(CC)CCCCCC

References

Other Databases

CHEBI ID
196462
PubChem CID
11665584

Calculated Physicochemical Properties

Heavy Atoms 14
Rings 0
Aromatic Rings 0
Rotatable Bonds 8
Van der Waals Molecular Volume 236.97
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 4.13
Molar Refractivity 62.36

Admin

Created at
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Updated at
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