Structure Database (LMSD)

Common Name
3-Methyl-3-ethyldecane
Systematic Name
3-Methyl-3-ethyldecane
Synonyms
LM ID
LMFA11000703
Formula
C13H28
Exact Mass
Calculate m/z
184.2191
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

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

Biological Context

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Microcoleus vaginatus (#119532)
Cyanophyceae (#3028117)
[Branched alkanes and other apolar compounds produced by the cyanobacterium Microcoleus vaginatus from the Negev desert],
Bioorg Khim, 2001
Pubmed ID: 11357397

String Representations

InChiKey (Click to copy)
XIVQUUGRQDHITC-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C13H28/c1-5-8-9-10-11-12-13(4,6-2)7-3/h5-12H2,1-4H3
SMILES (Click to copy)
C(C(C)(CC)CC)CCCCCC

Other Databases

CHEBI ID
165738
PubChem CID
545661

Calculated Physicochemical Properties

Heavy Atoms 13
Rings 0
Aromatic Rings 0
Rotatable Bonds 8
Van der Waals Molecular Volume 233.46
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 5.17
Molar Refractivity 62.07

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Updated at
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