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
C17H32O
Abbrev
FAL 17:1
Show lipids differing only in stereochemistry/bond geometry
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MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty aldehydes [FA06]

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
187940
PubChem CID
6073809

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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Updated at
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