Structure Database (LMSD)

Common Name
hexacosanal
Systematic Name
hexacosanal
Synonyms
LM ID
LMFA06000107
Status
Active
Exact Mass
Calculate m/z
380.401815
Formula
Abbrev


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)
QAXXQMIHMLTJQI-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C26H52O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27/h26H,2-25H2,1H3
SMILES (Click to copy)
C(CCCCCCCCCCCCC(=O)[H])CCCCCCCCCCCC

References

Other Databases

HMDB ID
CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 27
Rings 0
Aromatic Rings 0
Rotatable Bonds 24
Van der Waals Molecular Volume 464.51
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 9.57
Molar Refractivity 122.55

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Created at
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Updated at
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