Structure Database (LMSD)

Common Name
10R-Methyltridecan-2-one
Systematic Name
10R-Methyltridecan-2-one
Synonyms
LM ID
LMFA12000165
Status
Active
Exact Mass
Calculate m/z
212.214015
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)
NJTTWHKSGLGWQM-CYBMUJFWSA-N
InChi (Click to copy)
InChI=1S/C14H28O/c1-4-10-13(2)11-8-6-5-7-9-12-14(3)15/h13H,4-12H2,1-3H3/t13-/m1/s1
SMILES (Click to copy)
CC(=O)CCCCCCC[C@H](C)CCC

References

Other Databases

PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 15
Rings 0
Aromatic Rings 0
Rotatable Bonds 10
Van der Waals Molecular Volume 256.91
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 4.74
Molar Refractivity 67.07

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Created at
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Updated at
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