Structure Database (LMSD)

Common Name
Decane
Systematic Name
Decane
Synonyms
LM ID
LMFA11000568
Status
Active
Exact Mass
Calculate m/z
142.17215
Formula



Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

Category
Main Class
Sub Class

String Representations

InChiKey (Click to copy)
DIOQZVSQGTUSAI-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3
SMILES (Click to copy)
CCCCCCCCCC

References

Comments
Pherobase Semiochemicals

Other Databases

HMDB ID
CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 10
Rings 0
Aromatic Rings 0
Rotatable Bonds 7
Van der Waals Molecular Volume 181.56
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 4.15
Molar Refractivity 48.28

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Created at
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Updated at
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