Structure Database (LMSD)

Common Name
Nonane
Systematic Name
Nonane
Synonyms
LM ID
LMFA11000579
Formula
C9H20
Exact Mass
Calculate m/z
128.1565
Status
Curated
Show lipids differing only in stereochemistry/bond geometry
View MassBank spectra
View NP-MRD ID(NMR) spectrum
View studies deposited in Metabolomics Workbench in which this molecule has been identified

Classification

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

References

Comments
Pherobase Semiochemicals

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Odocoileus virginianus (#9874)
Mammalia (#40674)
Volatile compounds from interdigital gland of male white-tailed deer (Odocoileus virginianus).,
J Chem Ecol, 1996
Pubmed ID: 24226480

String Representations

InChiKey (Click to copy)
BKIMMITUMNQMOS-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3
SMILES (Click to copy)
CCCCCCCCC

Other Databases

HMDB ID
HMDB0029595
CHEBI ID
32892
PubChem CID
8141
PDB ID
DD9

Calculated Physicochemical Properties

Heavy Atoms 9
Rings 0
Aromatic Rings 0
Rotatable Bonds 6
Van der Waals Molecular Volume 164.26
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 3.76
Molar Refractivity 43.67

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Created at
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Updated at
15th Dec 2025