Structure Database (LMSD)
Common Name
2,6 dimethylheptanoyl carnitine
Systematic Name
3-[(2,6-dimethylheptanoyl)oxy]-4-(trimethylazaniumyl)butanoate
Synonyms
3D model of 2,6 dimethylheptanoyl carnitine
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
Reactions
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String Representations
InChiKey (Click to copy)
QBYXBONNCVATNQ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C16H31NO4/c1-12(2)8-7-9-13(3)16(20)21-14(10-15(18)19)11-17(4,5)6/h12-14H,7-11H2,1-6H3
SMILES (Click to copy)
O(C(=O)C(C)CCCC(C)C)C(C[N+](C)(C)C)CC(=O)[O-]
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
21
Rings
0
Aromatic Rings
0
Rotatable Bonds
11
Van der Waals Molecular Volume
326.24
Topological Polar Surface Area
66.43
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
5
logP
1.78
Molar Refractivity
81.94
Admin
Created at
-
Updated at
25th Apr 2022