Structure Database (LMSD)

Common Name
nonacosane
Systematic Name
nonacosane
Synonyms
  • n-nonacosane
LM ID
LMFA11000005
Status
Active
Exact Mass
Calculate m/z
408.4695
Formula



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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

String Representations

InChiKey (Click to copy)
IGGUPRCHHJZPBS-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C29H60/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-29H2,1-2H3
SMILES (Click to copy)
C(CCCCCCCCCCCCCC)CCCCCCCCCCCCCC

References

Other Databases

Wikipedia
KEGG ID
HMDB ID
CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 29
Rings 0
Aromatic Rings 0
Rotatable Bonds 26
Van der Waals Molecular Volume 510.26
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 11.56
Molar Refractivity 136.01

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Created at
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Updated at
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