Structure Database (LMSD)

Common Name
2,2,6,6-Tetramethyl-4-ethylheptane
Systematic Name
2,2,6,6-Tetramethyl-4-ethylheptane
Synonyms
LM ID
LMFA11000672
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]

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)
HCYDMRODXAVTKT-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C13H28/c1-8-11(9-12(2,3)4)10-13(5,6)7/h11H,8-10H2,1-7H3
SMILES (Click to copy)
CC(C)(C)CC(CC)CC(C)(C)C

Other Databases

PubChem CID
43925

Calculated Physicochemical Properties

Heavy Atoms 13
Rings 0
Aromatic Rings 0
Rotatable Bonds 5
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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Updated at
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