| Common Name |
trans- and cis-1-Methoxy-1-decene
| Description |
trans- and cis-1-Methoxy-1-decene is used as a food additive [EAFUS] (“EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]”).trans- and cis-1-Methoxy-1-decene belongs to the family of Enol Ethers. These are compounds containing the enol ether functional group, with the formlia ROCR=CR.
| Structure |
MOLSDFPDBSMILESInChI
Structure for HMDB32379 (trans- and cis-1-Methoxy-1-decene)
| Synonyms |
| Value |
Source |
(1E)-1-Dodecenyl methyl etherHMDB
Ether, 1-dodecenyl methylHMDB
| Chemical Formlia |
C11H22O
| Average Molecliar Weight |
170.2918
| Monoisotopic Molecliar Weight |
170.167065326
| IUPAC Name |
(1E)-1-methoxydec-1-ene
| Traditional Name |
(1E)-1-methoxydec-1-ene
| CAS Registry Number |
79930-37-3
| SMILES |
CCCCCCCCC=COC
| InChI Identifier |
InChI=1S/C11H22O/c1-3-4-5-6-7-8-9-10-11-12-2/h10-11H,3-9H2,1-2H3/b11-10+
| InChI Key |
OVQHJRCXRNGXRJ-ZHACJKMWSA-N
| Chemical Taxonomy |
| Description |
This compound belongs to the class of organic compounds known as organooxygen compounds. These are organic compounds containing a bond between a carbon atom and an oxygen atom.
| Kingdom |
Organic compounds
| Super Class |
Organooxygen compounds
| Class |
Not Available
| Sub Class |
Not Available
| Direct Parent |
Organooxygen compounds
| Alternative Parents |
Hydrocarbon derivatives
| Substituents |
Hydrocarbon derivative
Organooxygen compound
Aliphatic acyclic compound
| Molecliar Framework |
Aliphatic acyclic compounds
| External Descriptors |
Not Available
| Ontology |
| Status |
Expected but not Quantified
| Origin |
Endogenous
Food
| Biofunction |
Not Available
| Application |
Nutrient
| Cellliar locations |
Membrane
| Physical Properties |
| State |
Not Available
| Experimental Properties |
| Property |
Value |
Reference |
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
| Predicted Properties |
| Property |
Value |
Source |
Water Solubility0.0025 mg/mLALOGPS
logP5.4ALOGPS
logP4.13ChemAxon
logS-4.8ALOGPS
pKa (Strongest Basic)-4.7ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count1ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area9.23 Å2ChemAxon
Rotatable Bond Count8ChemAxon
Refractivity54.59 m3·mol-1ChemAxon
Polarizability22.87 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 |
Not Available
| Tissue Location |
Not Available
| Pathways |
Not Available
| Normal Concentrations |
| Not Available |
| Abnormal Concentrations |
|
Not Available
| 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 |
FDB009798
| KNApSAcK ID |
Not Available
| Chemspider ID |
4896417
| KEGG Compound ID |
Not Available
| BioCyc ID |
Not Available
| BiGG ID |
Not Available
| Wikipedia Link |
Not Available
| NuGOwiki Link |
HMDB32379
| Metagene Link |
HMDB32379
| METLIN ID |
Not Available
| PubChem Compound |
6365701
| PDB ID |
Not Available
| ChEBI ID |
Not Available
Product: Bilastine
References |
| Synthesis Reference |
Not Available |
| Material Safety Data Sheet (MSDS) |
Not Available |
| General References |
- (). EAFUS: Everything Added to Food in the United States.. .
|
PMID: 18272821
