Structure Database (LMSD)

Common Name
12Z-Nonadecen-9-one
Systematic Name
12Z-Nonadecen-9-one
Synonyms
LM ID
LMFA12000204
Status
Active
Exact Mass
Calculate m/z
280.276615
Formula
C19H36O
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)
LLUGFFSGUQULMF-OWBHPGMISA-N
InChi (Click to copy)
InChI=1S/C19H36O/c1-3-5-7-9-11-12-14-16-18-19(20)17-15-13-10-8-6-4-2/h12,14H,3-11,13,15-18H2,1-2H3/b14-12-
SMILES (Click to copy)
CCCCCCCCC(=O)CC/C=C\CCCCCC

References

Other Databases

CHEBI ID
187308
PubChem CID
11076852

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 0
Aromatic Rings 0
Rotatable Bonds 15
Van der Waals Molecular Volume 340.77
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 6.61
Molar Refractivity 90.13

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Created at
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Updated at
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