Structure Database (LMSD)
Common Name
3-oxo-tetradecanoic acid
Systematic Name
3-oxo-tetradecanoic acid
Synonyms
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
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
Other Databases
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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