Structure Database (LMSD)

Common Name
7-Ethyl-4E-dodecen-6-one
Systematic Name
7-Ethyl-4E-dodecen-6-one
Synonyms
LM ID
LMFA12000257
Formula
C14H26O
Exact Mass
Calculate m/z
210.198365
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)
OSINZOMCCVVWFZ-ZRDIBKRKSA-N
InChi (Click to copy)
InChI=1S/C14H26O/c1-4-7-9-11-13(6-3)14(15)12-10-8-5-2/h10,12-13H,4-9,11H2,1-3H3/b12-10+
SMILES (Click to copy)
CCC/C=C/C(=O)C(CC)CCCCC

Other Databases

CHEBI ID
179499
PubChem CID
11658547

Calculated Physicochemical Properties

Heavy Atoms 15
Rings 0
Aromatic Rings 0
Rotatable Bonds 9
Van der Waals Molecular Volume 254.27
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 4.52
Molar Refractivity 66.98

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Created at
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Updated at
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