Structure Database (LMSD)
Common Name
3-oxo-tetradecanoic acid
Systematic Name
3-oxo-tetradecanoic acid
Synonyms
No other lipid differing only in stereochemistry/bond geometry found
3D model of 3-oxo-tetradecanoic acid
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
XLKOZYOVXNPWGT-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C14H26O3/c1-2-3-4-5-6-7-8-9-10-11-13(15)12-14(16)17/h2-12H2,1H3,(H,16,17)
SMILES (Click to copy)
C(CC(=O)CCCCCCCCCCC)(=O)O
References
Calculated Physicochemical Properties
Heavy Atoms
17
Rings
0
Aromatic Rings
0
Rotatable Bonds
12
Van der Waals Molecular Volume
271.85
Topological Polar Surface Area
54.37
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
3
logP
3.95
Molar Refractivity
69.10
Admin
Created at
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Updated at
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