Structure Database (LMSD)

Common Name
9S-Methylnonadecane
Systematic Name
9S-Methylnonadecane
Synonyms
LM ID
LMFA11000032
Formula
C20H42
Exact Mass
Calculate m/z
282.32865
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Hydrocarbons [FA11]

References

Comments
Pherobase Semiochemicals

String Representations

InChiKey (Click to copy)
FFVPRSKCTDQLBP-FQEVSTJZSA-N
InChi (Click to copy)
InChI=1S/C20H42/c1-4-6-8-10-12-13-15-17-19-20(3)18-16-14-11-9-7-5-2/h20H,4-19H2,1-3H3/t20-/m0/s1
SMILES (Click to copy)
CCCCCCCC[C@H](C)CCCCCCCCCC

Other Databases

PubChem CID
11161863

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 0
Aromatic Rings 0
Rotatable Bonds 16
Van der Waals Molecular Volume 354.56
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 7.90
Molar Refractivity 94.38

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Created at
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Updated at
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