Structure Database (LMSD)

Common Name
5-Ethylpentadecane-2,4-dione
Systematic Name
5-Ethylpentadecane-2,4-dione
Synonyms
LM ID
LMFA12000265
Formula
C17H32O2
Exact Mass
Calculate m/z
268.24023
Status
Active
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)
UWJUDBRYYHRLAO-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C17H32O2/c1-4-6-7-8-9-10-11-12-13-16(5-2)17(19)14-15(3)18/h16H,4-14H2,1-3H3
SMILES (Click to copy)
CC(=O)CC(=O)C(CC)CCCCCCCCCC

Other Databases

CHEBI ID
196111
PubChem CID
11715963

Calculated Physicochemical Properties

Heavy Atoms 19
Rings 0
Aromatic Rings 0
Rotatable Bonds 13
Van der Waals Molecular Volume 314.96
Topological Polar Surface Area 34.14
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 5.09
Molar Refractivity 81.31

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Created at
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Updated at
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