| Record Information |
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| Version | 1.0 |
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| Created at | 2020-03-19 00:53:03 UTC |
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| Updated at | 2020-11-18 16:35:28 UTC |
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| CannabisDB ID | CDB000721 |
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| Secondary Accession Numbers | Not Available |
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| Cannabis Compound Identification |
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| Common Name | 3,3,6-Trimethyl-1,5-heptadiene |
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| Description | 3,3,6-Trimethyl-1,5-heptadiene  belongs to the class of organic compounds known as branched unsaturated hydrocarbons. These are hydrocarbons that contains one or more unsaturated carbon atoms, and an aliphatic branch. 3,3,6-Trimethyl-1,5-heptadiene is a trimethylated derivative of 1,5-heptadiene in which three methyl substituents positioning at C-3, C-3 and C-4. 3,3,6-Trimethyl-1,5-heptadiene is a volatile, neutral compound that is insoluble in water. It is one of the alkanes identified in both hops and in Cannabis sativa (PMID: 6991645 ). |
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| Structure | |
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| Synonyms | Not Available |
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| Chemical Formula | C10H18 |
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| Average Molecular Weight | 138.25 |
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| Monoisotopic Molecular Weight | 138.1409 |
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| IUPAC Name | 3,3,6-trimethylhepta-1,5-diene |
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| Traditional Name | 3,3,6-trimethylhepta-1,5-diene |
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| CAS Registry Number | 35387-63-4 |
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| SMILES | CC(C)=CCC(C)(C)C=C |
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| InChI Identifier | InChI=1S/C10H18/c1-6-10(4,5)8-7-9(2)3/h6-7H,1,8H2,2-5H3 |
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| InChI Key | HRAGAKKBZWYBSJ-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Description | Belongs to the class of organic compounds known as branched unsaturated hydrocarbons. These are hydrocarbons that contains one or more unsaturated carbon atoms, and an aliphatic branch. |
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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 | Branched unsaturated hydrocarbons |
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| Direct Parent | Branched unsaturated hydrocarbons |
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| Alternative Parents | |
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| Substituents | - Branched unsaturated hydrocarbon
- Alkadiene
- Unsaturated aliphatic hydrocarbon
- Olefin
- Acyclic olefin
- Aliphatic acyclic compound
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| Molecular Framework | Aliphatic acyclic 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 | Solid |
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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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