Structure Database (LMSD)

Common Name
4-Methylheptadecane
Systematic Name
4-Methylheptadecane
Synonyms
LM ID
LMFA11000694
Formula
C18H38
Exact Mass
Calculate m/z
254.29735
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)
YPPNOYRCEQRCHY-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C18H38/c1-4-6-7-8-9-10-11-12-13-14-15-17-18(3)16-5-2/h18H,4-17H2,1-3H3
SMILES (Click to copy)
CCCC(C)CCCCCCCCCCCCC

Other Databases

CHEBI ID
190130
PubChem CID
520261

Calculated Physicochemical Properties

Heavy Atoms 18
Rings 0
Aromatic Rings 0
Rotatable Bonds 14
Van der Waals Molecular Volume 319.96
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 7.12
Molar Refractivity 85.15

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Updated at
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