Structure Database (LMSD)

Common Name
2E-Phytenal
Systematic Name
3,7,11,15-tetramethyl-2E-hexadecenal
Synonyms
LM ID
LMPR0104010025
Status
Active
Exact Mass
Calculate m/z
294.292265
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)
RAFZYSUICBQABU-HMMYKYKNSA-N
InChi (Click to copy)
InChI=1S/C20H38O/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21/h15-19H,6-14H2,1-5H3/b20-15+
SMILES (Click to copy)
C(/C=C(\C)/CCCC(C)CCCC(C)CCCC(C)C)(=O)[H]

References

Other Databases

HMDB ID
CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 0
Aromatic Rings 0
Rotatable Bonds 13
Van der Waals Molecular Volume 358.07
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 6.57
Molar Refractivity 94.54

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Created at
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Updated at
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