Structure Database (LMSD)

Common Name
14-Methyl-8E-hexadecenal
Systematic Name
14-Methyl-8E-hexadecenal
Synonyms
LM ID
LMFA06000194
Status
Active
Exact Mass
Calculate m/z
252.245315
Formula
Abbrev


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)
HSGUJTMCFWXGAP-FNORWQNLSA-N
InChi (Click to copy)
InChI=1S/C17H32O/c1-3-17(2)15-13-11-9-7-5-4-6-8-10-12-14-16-18/h5,7,16-17H,3-4,6,8-15H2,1-2H3/b7-5+
SMILES (Click to copy)
C(CCCCCC/C=C/CCCCC(C)CC)(=O)[H]

References

Comments
Pherobase

Other Databases

CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 18
Rings 0
Aromatic Rings 0
Rotatable Bonds 13
Van der Waals Molecular Volume 306.17
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 5.69
Molar Refractivity 80.83

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Created at
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Updated at
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