Structure Database (LMSD)

Common Name
7-Ethylpentadecane-4,6-dione
Systematic Name
7-Ethylpentadecane-4,6-dione
Synonyms
LM ID
LMFA12000267
Formula
C17H32O2
Exact Mass
Calculate m/z
268.24023
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)
IEOQQSGEDNEZSG-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C17H32O2/c1-4-7-8-9-10-11-13-15(6-3)17(19)14-16(18)12-5-2/h15H,4-14H2,1-3H3
SMILES (Click to copy)
CCCC(=O)CC(=O)C(CC)CCCCCCCC

Other Databases

CHEBI ID
196110
PubChem CID
11680580

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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