| Record Information |
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| Version | 1.0 |
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| Created at | 2020-04-27 16:50:35 UTC |
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| Updated at | 2021-01-04 18:49:12 UTC |
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| CannabisDB ID | CDB005736 |
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| Secondary Accession Numbers | Not Available |
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| Cannabis Compound Identification |
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| Common Name | Tetramethylcyclopentanedione |
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| Description | 3,3,5,5-Tetramethylcyclopentane-1,2-dione is a tetramethylated derivative of cyclopentane-1,2-dione. It belongs to the class of organic compounds known as cyclic ketones. These are organic compounds containing a ketone that is conjugated to a cyclic moiety. 3,3,5,5-Tetramethylcyclopentane-1,2-dione is one of several structural isomers of tetramethylcyclopentane-1,2-dione wherein four methyl groups are substituted at different positions of cyclopentadione. There are two known isomers of cyclopentanedione including 1,2- and 1,3-cyclopentanedione. They differ at the positions of carbonyl functional groups. Tetramethylcyclopentanediones are found in marijuana (cannabis) smoke. 3,3,5,5-Tetramethylcyclopentane-1,2-dione is formed during the combustion of cannabis ( Ref:DOI ). |
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| Structure | |
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| Synonyms | Not Available |
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| Chemical Formula | C9H14O2 |
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| Average Molecular Weight | 154.21 |
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| Monoisotopic Molecular Weight | 154.0994 |
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| IUPAC Name | 3,3,5,5-tetramethylcyclopentane-1,2-dione |
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| Traditional Name | 3,3,5,5-tetramethylcyclopentane-1,2-dione |
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| CAS Registry Number | 20633-06-1 |
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| SMILES | CC1(C)CC(C)(C)C(=O)C1=O |
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| InChI Identifier | InChI=1S/C9H14O2/c1-8(2)5-9(3,4)7(11)6(8)10/h5H2,1-4H3 |
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| InChI Key | PSTFMALKVLSKOP-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Description | Belongs to the class of organic compounds known as cyclic ketones. These are organic compounds containing a ketone that is conjugated to a cyclic moiety. |
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| Kingdom | Organic compounds |
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| Super Class | Organic oxygen compounds |
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| Class | Organooxygen compounds |
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| Sub Class | Carbonyl compounds |
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| Direct Parent | Cyclic ketones |
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| Alternative Parents | |
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| Substituents | - Cyclic ketone
- Organic oxide
- Hydrocarbon derivative
- Aliphatic homomonocyclic compound
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| Molecular Framework | Aliphatic homomonocyclic compounds |
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| External Descriptors | Not Available |
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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 | Not Available | Not Available | | Boiling Point | Not Available | Not Available | | Water Solubility | Not Available | Not Available | | logP | Not Available | Not Available |
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| Predicted Properties | [] |
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