Structure Database (LMSD)

Common Name
6Z,9E-Heneicosadien-11-one
Systematic Name
6Z,9E-Heneicosadien-11-one
Synonyms
LM ID
LMFA12000217
Status
Active
Exact Mass
Calculate m/z
306.292265
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)
ZNAIFUOOHZIIGO-XJQVUQAESA-N
InChi (Click to copy)
InChI=1S/C21H38O/c1-3-5-7-9-11-13-15-17-19-21(22)20-18-16-14-12-10-8-6-4-2/h11,13,17,19H,3-10,12,14-16,18,20H2,1-2H3/b13-11-,19-17+
SMILES (Click to copy)
CCCCC/C=C\C/C=C/C(=O)CCCCCCCCCC

References

Other Databases

PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 0
Aromatic Rings 0
Rotatable Bonds 16
Van der Waals Molecular Volume 372.73
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 7.17
Molar Refractivity 99.27

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Created at
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Updated at
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