Structure Database (LMSD)

Common Name
2,6,7-Trimethyldecane
Systematic Name
2,6,7-Trimethyldecane
Synonyms
LM ID
LMFA11000685
Formula
C13H28
Exact Mass
Calculate m/z
184.2191
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

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

String Representations

InChiKey (Click to copy)
OBRONVGOGGDKLB-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C13H28/c1-6-8-12(4)13(5)10-7-9-11(2)3/h11-13H,6-10H2,1-5H3
SMILES (Click to copy)
CC(C)CCCC(C)C(C)CCC

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Microcoleus vaginatus (#119532)
[Branched alkanes and other apolar compounds produced by the cyanobacterium Microcoleus vaginatus from the Negev desert],
Bioorg Khim, 2001
Pubmed ID: 11357397

Other Databases

HMDB ID
HMDB0030309
CHEBI ID
132231
PubChem CID
43924

Calculated Physicochemical Properties

Heavy Atoms 13
Rings 0
Aromatic Rings 0
Rotatable Bonds 7
Van der Waals Molecular Volume 233.46
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 4.89
Molar Refractivity 61.93

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Created at
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Updated at
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