Structure Database (LMSD)
Common Name
Decanoylcholine
Systematic Name
[2-(decanoyloxy)ethyl]trimethylazanium
Synonyms
3D model of Decanoylcholine
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
String Representations
InChiKey (Click to copy)
VZSPWUMYXMBAJB-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C15H32NO2/c1-5-6-7-8-9-10-11-12-15(17)18-14-13-16(2,3)4/h5-14H2,1-4H3/q+1
SMILES (Click to copy)
[N+](C)(C)(C)CCOC(=O)CCCCCCCCC
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
18
Rings
0
Aromatic Rings
0
Rotatable Bonds
12
Van der Waals Molecular Volume
295.32
Topological Polar Surface Area
26.30
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
3
logP
3.95
Molar Refractivity
77.45
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Created at
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Updated at
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