Structure Database (LMSD)
Common Name
11-Hexadecynal
Systematic Name
11-Hexadecynal
Synonyms
3D model of 11-Hexadecynal
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
References
String Representations
InChiKey (Click to copy)
CJULORNYMKTGAE-UHFFFAOYSA-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/h16H,2-4,7-15H2,1H3
SMILES (Click to copy)
C(CCCCCCCCCC#CCCCC)(=O)[H]
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
17
Rings
0
Aromatic Rings
0
Rotatable Bonds
11
Van der Waals Molecular Volume
286.23
Topological Polar Surface Area
17.07
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
1
logP
4.89
Molar Refractivity
74.92
Admin
Created at
-
Updated at
4th Apr 2022