Structure Database (LMSD)

Common Name
12-Tridecen-2-one
Systematic Name
12-Tridecen-2-one
Synonyms
LM ID
LMFA12000167
Status
Active
Exact Mass
Calculate m/z
196.182715
Formula


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)
UYCZPLKICNDOCL-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C13H24O/c1-3-4-5-6-7-8-9-10-11-12-13(2)14/h3H,1,4-12H2,2H3
SMILES (Click to copy)
CC(=O)CCCCCCCCCC=C

References

Other Databases

CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 14
Rings 0
Aromatic Rings 0
Rotatable Bonds 10
Van der Waals Molecular Volume 236.97
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 4.27
Molar Refractivity 62.43

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Created at
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Updated at
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