Structure Database (LMSD)

Common Name
4-propylheptane
Systematic Name
4-propylheptane
Synonyms
LM ID
LMFA11000697
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)
ABYGSZMCWVXFCQ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C10H22/c1-4-7-10(8-5-2)9-6-3/h10H,4-9H2,1-3H3
SMILES (Click to copy)
CCCC(CCC)CCC

Other Databases

PubChem CID
137855

Calculated Physicochemical Properties

Heavy Atoms 10
Rings 0
Aromatic Rings 0
Rotatable Bonds 6
Van der Waals Molecular Volume 181.56
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 4.00
Molar Refractivity 48.21

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Updated at
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