| 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 |
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 |
|
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 |
- (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .
|
PMID: 23376019