Structure Database (LMSD)

Common Name
7-Ethyl-4E-undecen-6-one
Systematic Name
7-Ethyl-4E-undecen-6-one
Synonyms
LM ID
LMFA12000254
Formula
C13H24O
Exact Mass
Calculate m/z
196.182715
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

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

String Representations

InChiKey (Click to copy)
FQIJOHISHWNRRA-PKNBQFBNSA-N
InChi (Click to copy)
InChI=1S/C13H24O/c1-4-7-9-11-13(14)12(6-3)10-8-5-2/h9,11-12H,4-8,10H2,1-3H3/b11-9+
SMILES (Click to copy)
CCC/C=C/C(=O)C(CC)CCCC

Other Databases

CHEBI ID
196463
PubChem CID
11615355

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

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Created at
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Updated at
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