Structure Database (LMSD)
Common Name
10E,12Z-Hexadecadienal
Systematic Name
10E,12Z-Hexadecadienal
Synonyms
3D model of 10E,12Z-Hexadecadienal
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)
OSFASEAZCNYZBW-SCFJQAPRSA-N
InChi (Click to copy)
InChI=1S/C16H28O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h4-7,16H,2-3,8-15H2,1H3/b5-4-,7-6+
SMILES (Click to copy)
C(CCCCCCCC/C=C/C=C\CCC)(=O)[H]
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
17
Rings
0
Aromatic Rings
0
Rotatable Bonds
12
Van der Waals Molecular Volume
286.23
Topological Polar Surface Area
17.07
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
1
logP
5.22
Molar Refractivity
76.19
Admin
Created at
-
Updated at
-