Structure Database (LMSD)

Common Name
Pentane
Systematic Name
Pentane
Synonyms
LM ID
LMFA11000583
Formula
C5H12
Exact Mass
Calculate m/z
72.0939
Status
Active
Show lipids differing only in stereochemistry/bond geometry
View MassBank spectra

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Hydrocarbons [FA11]

References

Comments
Pherobase Semiochemicals

String Representations

InChiKey (Click to copy)
OFBQJSOFQDEBGM-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3
SMILES (Click to copy)
CCCCC

Other Databases

HMDB ID
HMDB0029603
CHEBI ID
37830
PubChem CID
8003
PDB ID
LNK

Calculated Physicochemical Properties

Heavy Atoms 5
Rings 0
Aromatic Rings 0
Rotatable Bonds 2
Van der Waals Molecular Volume 95.06
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 2.20
Molar Refractivity 25.20

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Created at
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Updated at
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