| Record Information |
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| Version | 1.0 |
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| Created at | 2020-04-27 17:00:49 UTC |
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| Updated at | 2021-01-04 18:49:23 UTC |
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| CannabisDB ID | CDB005830 |
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| Secondary Accession Numbers | Not Available |
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| Cannabis Compound Identification |
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| Common Name | Octadecene |
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| Description | 1-Octadecene also known as alpha-Octadecene, is an 18 carbon alkene containing one double bond located at position 1. It belongs to the class of organic compounds known as unsaturated aliphatic hydrocarbons. These are aliphatic hydrocarbons that contains one or more unsaturated carbon atoms. These compounds contain one or more double or triple bonds. Octadecene is a neutral and hydrophobic molecule that is practically insoluble in water. 1-Octadecene is one of several structural isomers of octadecene which differ in the position of the double bond. 1-Octadecene appears as a colorless to pale yellow clear liquid that is insoluble in water. 1-Octadecene is an alpha-olefin and is used as an inexpensive organic solvent, with a boiling point of 315 °C, It is compatible with oleic acid and is used in the synthesis of colloidal quantum dots. Octadecenes are found in cannabis smoke. 1-Octadecene is formed during the combustion of cannabis ( Ref:DOI ). |
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| Structure | |
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| Synonyms | | Value | Source |
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| 1-Octadecene | ChEBI | | alpha-Octadecene | ChEBI | | alpha-Octadecylene | ChEBI | | Octadecene-1 | ChEBI | | a-Octadecene | Generator | | Α-octadecene | Generator | | a-Octadecylene | Generator | | Α-octadecylene | Generator |
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| Chemical Formula | C18H36 |
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| Average Molecular Weight | 252.49 |
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| Monoisotopic Molecular Weight | 252.2817 |
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| IUPAC Name | octadec-1-ene |
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| Traditional Name | octadecene |
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| CAS Registry Number | 112-88-9 |
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| SMILES | CCCCCCCCCCCCCCCCC=C |
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| InChI Identifier | InChI=1S/C18H36/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2/h3H,1,4-18H2,2H3 |
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| InChI Key | CCCMONHAUSKTEQ-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Description | Belongs to the class of organic compounds known as unsaturated aliphatic hydrocarbons. These are aliphatic Hydrocarbons that contains one or more unsaturated carbon atoms. These compounds contain one or more double or triple bonds. |
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| Kingdom | Organic compounds |
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| Super Class | Hydrocarbons |
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| Class | Unsaturated hydrocarbons |
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| Sub Class | Unsaturated aliphatic hydrocarbons |
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| Direct Parent | Unsaturated aliphatic hydrocarbons |
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| Alternative Parents | |
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| Substituents | - Unsaturated aliphatic hydrocarbon
- Olefin
- Alkene
- Acyclic olefin
- Aliphatic acyclic compound
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| Molecular Framework | Aliphatic acyclic compounds |
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| External Descriptors | |
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| Ontology |
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|
Not Available | | Physical Properties |
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| State | Not Available |
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| Experimental Properties | | Property | Value | Reference |
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| Melting Point | 14 to 16 °C | Wikipedia | | Boiling Point | 315 °C | Wikipedia | | Water Solubility | Not Available | Not Available | | logP | Not Available | Not Available |
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| Predicted Properties | [] |
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| Spectra |
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| EI-MS/GC-MS | Not Available |
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| MS/MS | | Type | Description | Splash Key | View |
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| Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-0udi-0090000000-7e0601bfc70ea848da33 | 2016-06-03 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0udi-4790000000-3699a4b86e4e3a3dc25e | 2016-06-03 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-05mo-9520000000-e0795391ecdeb422af87 | 2016-06-03 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0udi-0090000000-9a92f48f5460e70062eb | 2016-08-03 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0udi-0090000000-db3e86f4d5b44190929d | 2016-08-03 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0udr-6960000000-e1ac948329504b535f9d | 2016-08-03 | View Spectrum |
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| NMR | Not Available |
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| Pathways |
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| Pathways | Not Available |
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| Protein Targets |
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| Enzymes | Not Available |
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| Transporters | Not Available |
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| Metal Bindings | Not Available |
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| Receptors | Not Available |
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| Transcriptional Factors | Not Available |
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| Concentrations Data |
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| Not Available |
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| External Links |
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| HMDB ID | Not Available |
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| DrugBank ID | Not Available |
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| Phenol Explorer Compound ID | Not Available |
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| FoodDB ID | Not Available |
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| KNApSAcK ID | Not Available |
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| Chemspider ID | Not Available |
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| KEGG Compound ID | Not Available |
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| BioCyc ID | Not Available |
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| BiGG ID | Not Available |
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| Wikipedia Link | Not Available |
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| METLIN ID | Not Available |
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| PubChem Compound | 8217 |
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| PDB ID | Not Available |
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| ChEBI ID | 30824 |
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| References |
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| General References | Not Available |
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