Structure Database (LMSD)

Common Name
7-Ethylheptadecane-4,6-dione
Systematic Name
7-Ethylheptadecane-4,6-dione
Synonyms
LM ID
LMFA12000270
Formula
C19H36O2
Exact Mass
Calculate m/z
296.271531
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)
PZVLPNHRVJKPJD-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C19H36O2/c1-4-7-8-9-10-11-12-13-15-17(6-3)19(21)16-18(20)14-5-2/h17H,4-16H2,1-3H3
SMILES (Click to copy)
CCCC(=O)CC(=O)C(CC)CCCCCCCCCC

Other Databases

CHEBI ID
196572
PubChem CID
11637954

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 0
Aromatic Rings 0
Rotatable Bonds 15
Van der Waals Molecular Volume 349.56
Topological Polar Surface Area 34.14
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 5.87
Molar Refractivity 90.55

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Created at
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Updated at
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