Structure Database (LMSD)

Common Name
6-Hydroxy-(E,E)-7,9-heneicosadien-11-one
Systematic Name
6-Hydroxy-(E,E)-7,9-heneicosadien-11-one
Synonyms
LM ID
LMFA12000219
Status
Active
Exact Mass
Calculate m/z
322.28718
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)
YVHOHNBOYSRAMU-JSAVKQRWSA-N
InChi (Click to copy)
InChI=1S/C21H38O2/c1-3-5-7-8-9-10-11-13-17-21(23)19-15-14-18-20(22)16-12-6-4-2/h14-15,18-20,22H,3-13,16-17H2,1-2H3/b18-14+,19-15+
SMILES (Click to copy)
CCCCCC(O)/C=C/C=C/C(=O)CCCCCCCCCC

References

Other Databases

PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 23
Rings 0
Aromatic Rings 0
Rotatable Bonds 16
Van der Waals Molecular Volume 381.52
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 6.43
Molar Refractivity 101.17

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Created at
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Updated at
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