Structure Database (LMSD)

Common Name
Tetradecan-2-one
Systematic Name
Tetradecan-2-one
Synonyms
LM ID
LMFA12000177
Status
Active
Exact Mass
Calculate m/z
212.214015
Formula



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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)
POQLVOYRGNFGRM-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C14H28O/c1-3-4-5-6-7-8-9-10-11-12-13-14(2)15/h3-13H2,1-2H3
SMILES (Click to copy)
CC(=O)CCCCCCCCCCCC

References

Other Databases

HMDB ID
CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 15
Rings 0
Aromatic Rings 0
Rotatable Bonds 11
Van der Waals Molecular Volume 256.91
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 4.89
Molar Refractivity 67.14

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Created at
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Updated at
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