Structure Database (LMSD)

Common Name
7-Ethyltridecan-6-one
Systematic Name
7-Ethyltridecan-6-one
Synonyms
LM ID
LMFA12000255
Formula
C15H30O
Exact Mass
Calculate m/z
226.229665
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)
BWVGGQJBXODGKI-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C15H30O/c1-4-7-9-11-12-14(6-3)15(16)13-10-8-5-2/h14H,4-13H2,1-3H3
SMILES (Click to copy)
CCCCCC(=O)C(CC)CCCCCC

References

Other Databases

CHEBI ID
188251
PubChem CID
56936237

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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Created at
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Updated at
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