Structure Database (LMSD)
Common Name
2-oxo-heptadecanoic acid
Systematic Name
2-oxo-heptadecanoic acid
Synonyms
3D model of 2-oxo-heptadecanoic 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)
QPDMNFFZLIUVIV-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C17H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(18)17(19)20/h2-15H2,1H3,(H,19,20)
SMILES (Click to copy)
C(C(=O)CCCCCCCCCCCCCCC)(=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
20
Rings
0
Aromatic Rings
0
Rotatable Bonds
15
Van der Waals Molecular Volume
323.75
Topological Polar Surface Area
54.37
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
3
logP
5.12
Molar Refractivity
82.95
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Created at
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Updated at
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