Structure Database (LMSD)

Common Name
3,4,5-Trimethylheptane
Systematic Name
3,4,5-Trimethylheptane
Synonyms
LM ID
LMFA11000688
Formula
C10H22
Exact Mass
Calculate m/z
142.17215
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)
LJIIBBYARMPSMT-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C10H22/c1-6-8(3)10(5)9(4)7-2/h8-10H,6-7H2,1-5H3
SMILES (Click to copy)
CCC(C)C(C)C(C)CC

Other Databases

PubChem CID
89304

Calculated Physicochemical Properties

Heavy Atoms 10
Rings 0
Aromatic Rings 0
Rotatable Bonds 4
Van der Waals Molecular Volume 181.56
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 3.71
Molar Refractivity 48.07

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Updated at
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