Record Information |
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Version | 1.0 |
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Created at | 2022-04-28 09:41:43 UTC |
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Updated at | 2022-04-28 09:41:43 UTC |
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NP-MRD ID | NP0065474 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | (E,E)-2,8-Decadiene-4,6-diyn-1-ol 3-methylcrotonate |
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Description | Trans-but-2-ene, also known as (2E)-2-butene or (e)-2-C4H8, 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. The IUPAC and common names, respectively, of these chemical compounds are:In the chemical structures above, the small blue numbers in the structure images are the numbering of the atoms in the main backbone chain of the molecules. Among the molecules which have the chemical formula C4H8 four isomers are alkenes. Trans-but-2-ene is possibly neutral. Isobutylene is also used for the production of methyl tert-butyl ether (MTBE) and isooctane, both of which improve the combustion of gasoline. The word butene may refer to any of the individual compounds, or to a mixture of them. But-1-ene is a linear or normal alpha-olefin and isobutylene is a branched alpha-olefin. (E,E)-2,8-Decadiene-4,6-diyn-1-ol 3-methylcrotonate is found in Grindelia paludosa and Grindelia stricta. Cracking produces a mixture of products, and the butene is extracted from this by fractional distillation. |
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Structure | InChI=1S/C4H8/c1-3-4-2/h3-4H,1-2H3/b4-3+ |
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Synonyms | Value | Source |
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(2E)-2-Butene | ChEBI | (e)-2-Butene | ChEBI | (e)-2-C4H8 | ChEBI | (e)-But-2-ene | ChEBI | 2-trans-Butene | ChEBI | beta-trans-Butylene | ChEBI | Low-boiling butene-2 | ChEBI | trans-1,2-Dimethylethylene | ChEBI | trans-2-Butene | ChEBI | trans-But-2-en | ChEBI | trans-Butene | ChEBI | b-trans-Butylene | Generator | Β-trans-butylene | Generator | 2-Butene, (Z)-isomer | MeSH | 2-Butene | MeSH | 2-Butene, (e)-isomer | MeSH |
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Chemical Formula | C4H8 |
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Average Mass | 56.1080 Da |
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Monoisotopic Mass | 56.06260 Da |
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IUPAC Name | (2E)-but-2-ene |
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Traditional Name | trans-2-butene |
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CAS Registry Number | Not Available |
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SMILES | [H]\C(C)=C(\[H])C |
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InChI Identifier | InChI=1S/C4H8/c1-3-4-2/h3-4H,1-2H3/b4-3+ |
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InChI Key | IAQRGUVFOMOMEM-ONEGZZNKSA-N |
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Experimental Spectra |
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| Not Available | Predicted Spectra |
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| Spectrum Type | Description | Depositor ID | Depositor Organization | Depositor | Deposition Date | View |
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1D NMR | 13C NMR Spectrum (1D, 25 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 100 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 252 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 1000 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 50 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 200 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 75 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 300 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 101 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 400 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 126 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 500 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 151 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 176 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 700 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 201 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 800 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 226 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 900 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum |
| Chemical Shift Submissions |
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| Not Available | Species |
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Species of Origin | |
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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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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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