Structure Database (LMSD)

Common Name
18Z-Heptacosen-10-one
Systematic Name
18Z-Heptacosen-10-one
Synonyms
LM ID
LMFA12000224
Status
Active
Exact Mass
Calculate m/z
392.401815
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)
VSDSMPLLDJUGIM-PFONDFGASA-N
InChi (Click to copy)
InChI=1S/C27H52O/c1-3-5-7-9-11-12-13-14-15-16-17-18-20-22-24-26-27(28)25-23-21-19-10-8-6-4-2/h14-15H,3-13,16-26H2,1-2H3/b15-14-
SMILES (Click to copy)
CCCCCCCCCC(=O)CCCCCCC/C=C\CCCCCCCC

References

Other Databases

PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 28
Rings 0
Aromatic Rings 0
Rotatable Bonds 23
Van der Waals Molecular Volume 479.17
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 9.73
Molar Refractivity 127.07

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Created at
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Updated at
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