Structure Database (LMSD)

Common Name
10R-Methyltridecan-2-one
Systematic Name
10R-Methyltridecan-2-one
Synonyms
LM ID
LMFA12000165
Formula
C14H28O
Exact Mass
Calculate m/z
212.214015
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Oxygenated hydrocarbons [FA12]

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
11138428

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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