Structure Database (LMSD)
Common Name
2,6-Dimethyl-8-hydroxy-2E,6E-octadienal
Systematic Name
2,6-Dimethyl-8-hydroxy-2E,6E-octadienal
Synonyms
LM ID
LMFA06000130
Formula
Exact Mass
Calculate m/z
168.11503
Sum Composition
Status
Active
No other lipid differing only in stereochemistry/bond geometry found
3D model of 2,6-Dimethyl-8-hydroxy-2E,6E-octadienal
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)
FRKZCCBKUZTFCA-TXFIJWAUSA-N
InChi (Click to copy)
InChI=1S/C10H16O2/c1-9(6-7-11)4-3-5-10(2)8-12/h5-6,8,11H,3-4,7H2,1-2H3/b9-6+,10-5+
SMILES (Click to copy)
C(/C(/C)=C/CC/C(/C)=C/CO)(=O)[H]
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
12
Rings
0
Aromatic Rings
0
Rotatable Bonds
5
Van der Waals Molecular Volume
191.22
Topological Polar Surface Area
37.30
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
2.14
Molar Refractivity
50.39
Admin
Created at
-
Updated at
-