Structure Database (LMSD)

Common Name
Heptacosan-12-one
Systematic Name
Heptacosan-12-one
Synonyms
LM ID
LMFA12000231
Status
Active
Exact Mass
Calculate m/z
394.417465
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)
DODSCVAYARBHIX-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C27H54O/c1-3-5-7-9-11-13-14-15-16-18-20-22-24-26-27(28)25-23-21-19-17-12-10-8-6-4-2/h3-26H2,1-2H3
SMILES (Click to copy)
CCCCCCCCCCCC(=O)CCCCCCCCCCCCCCC

References

Other Databases

PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 28
Rings 0
Aromatic Rings 0
Rotatable Bonds 24
Van der Waals Molecular Volume 481.81
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 9.96
Molar Refractivity 127.16

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Created at
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Updated at
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