Structure Database (LMSD)

H O
Common Name
9-hexadecenal
Systematic Name
9-hexadecenal
Synonyms
LM ID
LMFA06000091
Formula
C16H30O
Exact Mass
Calculate m/z
238.229665
Sum Composition
FAL 16:1
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

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

String Representations

InChiKey (Click to copy)
QFPVVMKZTVQDTL-BQYQJAHWSA-N
InChi (Click to copy)
InChI=1S/C16H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h7-8,16H,2-6,9-15H2,1H3/b8-7+
SMILES (Click to copy)
C(/CCCCCC)=C\CCCCCCCC([H])=O

References

Other Databases

CHEBI ID
179687
PubChem CID
5283375

Calculated Physicochemical Properties

Heavy Atoms 17
Rings 0
Aromatic Rings 0
Rotatable Bonds 13
Van der Waals Molecular Volume 288.87
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 5.44
Molar Refractivity 76.28

Admin

Created at
-
Updated at
-