Structure Database (LMSD)

Common Name
14S-Methyl-8E-hexadecenal
Systematic Name
14S-Methyl-8E-hexadecenal
Synonyms
LM ID
LMFA06000208
Formula
C17H32O
Exact Mass
Calculate m/z
252.245315
Sum Composition
FAL 17:1
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

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

References

Comments
Pherobase

String Representations

InChiKey (Click to copy)
HSGUJTMCFWXGAP-UABRLCRWSA-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+/t17-/m0/s1
SMILES (Click to copy)
C(CCCCCC/C=C/CCCC[C@@H](C)CC)(=O)[H]

Other Databases

PubChem CID
12487636

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

Admin

Created at
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Updated at
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