Structure Database (LMSD)
Common Name
2-Hexenoylcholine
Systematic Name
{2-[(2E)-hex-2-enoyloxy]ethyl}trimethylazanium
Synonyms
3D model of 2-Hexenoylcholine
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
FEBXWAFFYJZFMS-BQYQJAHWSA-N
InChi (Click to copy)
InChI=1S/C11H22NO2/c1-5-6-7-8-11(13)14-10-9-12(2,3)4/h7-8H,5-6,9-10H2,1-4H3/q+1/b8-7+
SMILES (Click to copy)
[N+](C)(C)(C)CCOC(=O)/C=C/CCC
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
14
Rings
0
Aromatic Rings
0
Rotatable Bonds
7
Van der Waals Molecular Volume
223.48
Topological Polar Surface Area
26.30
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
3
logP
2.16
Molar Refractivity
58.89
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Created at
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Updated at
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