Structure Database (LMSD)

O
Common Name
Nonadecan-2-one
Systematic Name
Nonadecan-2-one
Synonyms
LM ID
LMFA12000051
Formula
C19H38O
Exact Mass
Calculate m/z
282.292265
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

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

String Representations

InChiKey (Click to copy)
IEDKVDCIEARIIU-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C19H38O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(2)20/h3-18H2,1-2H3
SMILES (Click to copy)
CC(=O)CCCCCCCCCCCCCCCCC

References

Other Databases

HMDB ID
HMDB0061862
CHEBI ID
88668
PubChem CID
69423

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 0
Aromatic Rings 0
Rotatable Bonds 16
Van der Waals Molecular Volume 343.41
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 6.84
Molar Refractivity 90.23

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Created at
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Updated at
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