Structure Database (LMSD)

Common Name
hentriacontan-16-one
Systematic Name
hentriacontan-16-one
Synonyms
  • 16-Hentriacontanone
  • Hentriacontan-16-one
  • dipentadecyl ketone
  • palmitone
LM ID
LMFA12000005
Status
Active
Exact Mass
Calculate m/z
450.480065
Formula



Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
UNRFDARCMOHDBJ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C31H62O/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31(32)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-30H2,1-2H3
SMILES (Click to copy)
C(=O)(CCCCCCCCCCCCCCC)CCCCCCCCCCCCCCC

References

Other Databases

KEGG ID
HMDB ID
CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 32
Rings 0
Aromatic Rings 0
Rotatable Bonds 28
Van der Waals Molecular Volume 551.01
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 11.52
Molar Refractivity 145.63

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Created at
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Updated at
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