Structure Database (LMSD)

Common Name
2,7,10-Trimethyldodecane
Systematic Name
2,7,10-Trimethyldodecane
Synonyms
LM ID
LMFA11000686
Formula
C15H32
Exact Mass
Calculate m/z
212.2504
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)
JCJGCZBSINPZAJ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C15H32/c1-6-14(4)11-12-15(5)10-8-7-9-13(2)3/h13-15H,6-12H2,1-5H3
SMILES (Click to copy)
CC(C)CCCCC(C)CCC(C)CC

Other Databases

HMDB ID
HMDB0062790
CHEBI ID
84280
PubChem CID
93447

Calculated Physicochemical Properties

Heavy Atoms 15
Rings 0
Aromatic Rings 0
Rotatable Bonds 9
Van der Waals Molecular Volume 268.06
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 5.67
Molar Refractivity 71.16

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Updated at
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