Structure Database (LMSD)

Common Name
4-keto pentadecanoic acid
Systematic Name
4-oxo-pentadecanoic acid
Synonyms
LM ID
LMFA01060047
Status
Active
Exact Mass
Calculate m/z
256.203845
Formula
Abbrev


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
PFJKZQUXOYQRNT-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C15H28O3/c1-2-3-4-5-6-7-8-9-10-11-14(16)12-13-15(17)18/h2-13H2,1H3,(H,17,18)
SMILES (Click to copy)
C(CCCCCCCCCC)C(=O)CCC(=O)O

References

Other Databases

CHEBI ID
LIPIDBANK ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 18
Rings 0
Aromatic Rings 0
Rotatable Bonds 13
Van der Waals Molecular Volume 289.15
Topological Polar Surface Area 54.37
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 3
logP 4.34
Molar Refractivity 73.72

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Created at
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Updated at
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