Structure Database (LMSD)
Common Name
3-oxo-9Z-Hexadecenal
Systematic Name
3-oxo-9Z-Hexadecenal
Synonyms
LM ID
LMFA06000215
Formula
Exact Mass
Calculate m/z
252.20893
Sum Composition
Status
Active
No other lipid differing only in stereochemistry/bond geometry found
3D model of 3-oxo-9Z-Hexadecenal
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
References
Comments
Pherobase
String Representations
InChiKey (Click to copy)
IILYOAZJRNNBKP-FPLPWBNLSA-N
InChi (Click to copy)
InChI=1S/C16H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-16(18)14-15-17/h7-8,15H,2-6,9-14H2,1H3/b8-7-
SMILES (Click to copy)
C(CC(=O)CCCCC/C=C\CCCCCC)(=O)[H]
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
18
Rings
0
Aromatic Rings
0
Rotatable Bonds
13
Van der Waals Molecular Volume
295.02
Topological Polar Surface Area
34.14
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
logP
4.62
Molar Refractivity
76.67
Admin
Created at
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Updated at
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