Structure Database (LMSD)

Common Name
3-Ethylheptadecan-2-one
Systematic Name
3-Ethylheptadecan-2-one
Synonyms
LM ID
LMFA12000268
Status
Active
Exact Mass
Calculate m/z
282.292265
Formula
C19H38O
Show lipids differing only in stereochemistry/bond geometry
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MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Oxygenated hydrocarbons [FA12]

String Representations

InChiKey (Click to copy)
AMDIPZGBYHWZOW-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C19H38O/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-19(5-2)18(3)20/h19H,4-17H2,1-3H3
SMILES (Click to copy)
CC(=O)C(CC)CCCCCCCCCCCCCC

References

Other Databases

CHEBI ID
179291
PubChem CID
11514704

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 0
Aromatic Rings 0
Rotatable Bonds 15
Van der Waals Molecular Volume 343.41
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 6.69
Molar Refractivity 90.16

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Created at
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Updated at
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