Structure Database (LMSD)

Common Name
3,7-Dimethylnonadecane
Systematic Name
3,7-Dimethylnonadecane
Synonyms
LM ID
LMFA11000385
Formula
C21H44
Exact Mass
Calculate m/z
296.3443
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)
ZRWWZZPRTCSWHU-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C21H44/c1-5-7-8-9-10-11-12-13-14-15-17-21(4)19-16-18-20(3)6-2/h20-21H,5-19H2,1-4H3
SMILES (Click to copy)
CCC(C)CCCC(C)CCCCCCCCCCCC

Other Databases

PubChem CID
14805697

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 0
Aromatic Rings 0
Rotatable Bonds 16
Van der Waals Molecular Volume 371.86
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 8.15
Molar Refractivity 98.93

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Created at
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Updated at
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