Structure Database (LMSD)

Common Name
2,2-Dimethyl-3-ethylpentane
Systematic Name
2,2-Dimethyl-3-ethylpentane
Synonyms
LM ID
LMFA11000699
Formula
C9H20
Exact Mass
Calculate m/z
128.1565
Status
Active
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)
CLZCPQKGOAXOJT-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C9H20/c1-6-8(7-2)9(3,4)5/h8H,6-7H2,1-5H3
SMILES (Click to copy)
CCC(CC)C(C)(C)C

Other Databases

PubChem CID
28026

Calculated Physicochemical Properties

Heavy Atoms 9
Rings 0
Aromatic Rings 0
Rotatable Bonds 3
Van der Waals Molecular Volume 164.26
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 3.47
Molar Refractivity 43.53

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Updated at
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