Structure Database (LMSD)
Common Name
Hexadecane
Systematic Name
Hexadecane
Synonyms
3D model of Hexadecane
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
References
Comments
Pherobase Semiochemicals
String Representations
InChiKey (Click to copy)
DCAYPVUWAIABOU-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3
SMILES (Click to copy)
CCCCCCCCCCCCCCCC
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
16
Rings
0
Aromatic Rings
0
Rotatable Bonds
13
Van der Waals Molecular Volume
285.36
Topological Polar Surface Area
0.00
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
0
logP
6.49
Molar Refractivity
75.99
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Created at
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Updated at
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