Structure Database (LMSD)

Common Name
hexane
Systematic Name
hexane
Synonyms
  • n-Hexane
LM ID
LMFA11000007
Status
Active
Exact Mass
Calculate m/z
86.10955
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

Category
Main Class
Sub Class

String Representations

InChiKey (Click to copy)
VLKZOEOYAKHREP-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3
SMILES (Click to copy)
CCCCCC

References

Other Databases

Wikipedia
KEGG ID
HMDB ID
CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 6
Rings 0
Aromatic Rings 0
Rotatable Bonds 3
Van der Waals Molecular Volume 112.36
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 2.59
Molar Refractivity 29.82

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Updated at
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