3-ethynyl-3-methyloxetane - ≥97% , CAS No.1290541-27-3

CAS: 1290541-27-3 Cat. No.: E173241 Summenformel: C₆H₈O Molekulargewicht: 96.129 EG-Nummer: 879-630-0

GRADE & PURITY ≥97%

Synonyms

PB27224 | 1290541-27-3 | DTXSID50855901 | Oxetane, 3-ethynyl-3-methyl- | EN300-180194 | 3-Ethynyl-3-methyloxetane | AKOS016011701 | MFCD19441315 | AS-59379 | FT-0761527 | AMY33725 | MFMBEVUFBLJCBC-UHFFFAOYSA-N | SY102676 | A903165 | F2147-2984

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

PB27224 | 1290541-27-3 | DTXSID50855901 | Oxetane, 3-ethynyl-3-methyl- | EN300-180194 | 3-Ethynyl-3-methyloxetane | AKOS016011701 | MFCD19441315 | AS-59379 | FT-0761527 | AMY33725 | MFMBEVUFBLJCBC-UHFFFAOYSA-N | SY102676 | A903165 | F2147-2984

Spezifikationen & Reinheit

≥97%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥97%

Namen und Kennungen

• Kanonisches Lächeln: CC1(COC1)C#C
• IUPAC Name: 3-ethynyl-3-methyloxetane
• InChIKey: MFMBEVUFBLJCBC-UHFFFAOYSA-N
• INCHI: 1S/C6H8O/c1-3-6(2)4-7-5-6/h1H,4-5H2,2H3
• Isomere SMILES: CC1(COC1)C#C
• Molekulargewicht: 96.129
• Reaxy-Rn: 27092679
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=27092679&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Oxetanes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Oxetanes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Oxetanes
• Alternative Parents: Oxacyclic compounds Dialkyl ethers Acetylides Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Oxetane - Acetylide - Oxacycle - Ether - Dialkyl ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aliphatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as oxetanes. These are compounds containing an oxetane ring, which is a four-member saturated aliphatic ring with an oxygen, and three carbon atoms.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemische und physikalische Eigenschaften

• Molekulargewicht: 96.130 g/mol
• XLogP3: 0.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 96.0575 Da
• Monoisotopic Mass: 96.0575 Da
• Topological Polar Surface Area: 9.200 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 113.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Häufig gestellte Fragen

How should this product be stored?

Store at room temperature.

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 1290541-27-3, the molecular formula is C6H8O, and the molecular weight is 96.129 g/mol. InChIKey MFMBEVUFBLJCBC-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.