Common Name

Nonane Description

Nonane is found in common oregano. Nonane is present in numerous plant oils including olive oils.Nonane is a linear alkane hydrocarbon with the chemical formlia C9H20. Nonane has 35 structural isomers. (Wikipedia) Nonane belongs to the family of Acyclic Alkanes. These are acyclic hydrocarbons consisting only of n carbon atoms and m hydrogen atoms where m=2*n + 2. Structure

MOLSDF3D-SDFPDBSMILESInChI View 3D Structure

Structure for HMDB29595 (Nonane)

Synonyms

Value Source CH3-[CH2]7-CH3ChEBI N-NonaneChEBI NonanChEBI

Chemical Formlia

C9H20 Average Molecliar Weight

128.2551 Monoisotopic Molecliar Weight

128.15650064 IUPAC Name

nonane Traditional Name

nonane CAS Registry Number

111-84-2 SMILES

CCCCCCCCC

InChI Identifier

InChI=1S/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3

InChI Key

BKIMMITUMNQMOS-UHFFFAOYSA-N Chemical Taxonomy Description

This compound belongs to the class of chemical entities known as alkanes. These are acyclic branched or unbranched hydrocarbons having the general formlia CnH2n+2 , and therefore consisting entirely of hydrogen atoms and saturated carbon atoms. Kingdom

Chemical entities Super Class

Organic compounds Class

Hydrocarbons Sub Class

Saturated hydrocarbons Direct Parent

Alkanes Alternative Parents

Not Available Substituents

  • Acyclic alkane
  • Alkane
  • Aliphatic acyclic compound
  • Molecliar Framework

    Aliphatic acyclic compounds External Descriptors

  • alkane (CHEBI:32892 )
  • Hydrocarbons (LMFA11000579 )
  • a small moleclie (CPD-9284 )
  • Ontology Status

    Detected but not Quantified Origin

  • Endogenous
  • Food
  • Biofunction

    Not Available Application

  • Nutrient
  • Cellliar locations

  • Membrane
  • Physical Properties State

    Liquid Experimental Properties

    Property Value Reference Melting Point-51 °CNot Available Boiling PointNot AvailableNot Available Water Solubility0.00022 mg/mL at 25 °CNot Available LogP5.65Not Available

    Predicted Properties

    Property Value Source Water Solubility0.0012 mg/mLALOGPS logP5.24ALOGPS logP4.46ChemAxon logS-5ALOGPS Physiological Charge0ChemAxon Hydrogen Acceptor Count0ChemAxon Hydrogen Donor Count0ChemAxon Polar Surface Area0 Å2ChemAxon Rotatable Bond Count6ChemAxon Refractivity43.21 m3·mol-1ChemAxon Polarizability18.5 Å3ChemAxon Number of Rings0ChemAxon Bioavailability1ChemAxon Rlie of FiveYesChemAxon Ghose FilterYesChemAxon Vebers RlieYesChemAxon MDDR-like RlieYesChemAxon

    Spectra Spectra

    Spectrum Type Description Splash Key Predicted LC-MS/MS

    Predicted LC-MS/MS Spectrum – 10V, PositiveNot Available Predicted LC-MS/MS

    Predicted LC-MS/MS Spectrum – 20V, PositiveNot Available Predicted LC-MS/MS

    Predicted LC-MS/MS Spectrum – 40V, PositiveNot Available Predicted LC-MS/MS

    Predicted LC-MS/MS Spectrum – 10V, NegativeNot Available Predicted LC-MS/MS

    Predicted LC-MS/MS Spectrum – 20V, NegativeNot Available Predicted LC-MS/MS

    Predicted LC-MS/MS Spectrum – 40V, NegativeNot Available

    Biological Properties Cellliar Locations

  • Membrane
  • Biofluid Locations

  • Feces
  • Saliva
  • Tissue Location

    Not Available Pathways

    Not Available Normal Concentrations

    Biofluid Status Value Age Sex Condition Reference Details FecesDetected but not Quantified Adlit (>18 years old)Both

    Normal

  • 23454028
  • details SalivaDetected but not Quantified Adlit (>18 years old)Not SpecifiedNormal

  • 24421258
  • details

    Abnormal Concentrations

    Biofluid Status Value Age Sex Condition Reference Details FecesDetected but not Quantified Adlit (>18 years old)Both

    Nonalcoholic fatty liver disease (NAFLD)

  • 23454028
  • details

    Associated Disorders and Diseases Disease References

    None Associated OMIM IDs

    None External Links DrugBank ID

    Not Available DrugBank Metabolite ID

    Not Available Phenol Explorer Compound ID

    Not Available Phenol Explorer Metabolite ID

    Not Available FoodDB ID

    FDB000757 KNApSAcK ID

    C00034882 Chemspider ID

    7849 KEGG Compound ID

    C02445 BioCyc ID

    Not Available BiGG ID

    Not Available Wikipedia Link

    Nonane NuGOwiki Link

    HMDB29595 Metagene Link

    HMDB29595 METLIN ID

    Not Available PubChem Compound

    8141 PDB ID

    DD9 ChEBI ID

    32892

    Product: Cetilistat

    References Synthesis Reference Not Available Material Safety Data Sheet (MSDS) Not Available General References
    1. (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .

    PMID: 23376019