Structure Database (LMSD)

Common Name
4,6-Dimethyldodecane
Systematic Name
4,6-Dimethyldodecane
Synonyms
LM ID
LMFA11000691
Formula
C14H30
Exact Mass
Calculate m/z
198.23475
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)
FNUQJWPIADDMRS-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C14H30/c1-5-7-8-9-11-14(4)12-13(3)10-6-2/h13-14H,5-12H2,1-4H3
SMILES (Click to copy)
CCCC(C)CC(C)CCCCCC

Other Databases

HMDB ID
HMDB0062598
CHEBI ID
84249
PubChem CID
545627
NP-MRD ID(NMR)
NP0304315

Calculated Physicochemical Properties

Heavy Atoms 14
Rings 0
Aromatic Rings 0
Rotatable Bonds 9
Van der Waals Molecular Volume 250.76
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 5.42
Molar Refractivity 66.61

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Updated at
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