4-ethynyloxan-4-ol - ≥97% , CAS No.57385-16-7

CAS: 57385-16-7 Cat. No.: E176829 Formula: C₇H₁₀O₂ Peso molecolare: 126.155 Numero EC: 855-701-1

GRADE & PURITY ≥97%

Synonyms

4-ethynyl-tetrahydro-pyran-4-ol | 4-ethynyl-tetrahydropyran-4-ol | 4-ETHYNYLTETRAHYDROPYRAN-4-OL | 4-ETHYNYLOXAN-4-OL | SWJWVPMUAUALKX-UHFFFAOYSA-N | A869685 | FT-0712418 | 2H-Pyran-4-ol, 4-ethynyltetrahydro- (9CI) | SY042348 | P12466 | F8883-8285 | SCHEM

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

4-ethynyl-tetrahydro-pyran-4-ol | 4-ethynyl-tetrahydropyran-4-ol | 4-ETHYNYLTETRAHYDROPYRAN-4-OL | 4-ETHYNYLOXAN-4-OL | SWJWVPMUAUALKX-UHFFFAOYSA-N | A869685 | FT-0712418 | 2H-Pyran-4-ol, 4-ethynyltetrahydro- (9CI) | SY042348 | P12466 | F8883-8285 | SCHEM

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥97%

Nomi e identificatori

• Sorrisi canonici: C#CC1(CCOCC1)O
• IUPAC Name: 4-ethynyloxan-4-ol
• InChIKey: SWJWVPMUAUALKX-UHFFFAOYSA-N
• INCHI: 1S/C7H10O2/c1-2-7(8)3-5-9-6-4-7/h1,8H,3-6H2
• Isomeri SMILES: C#CC1(CCOCC1)O
• Peso molecolare: 126.155
• Reaxy-Rn: 13815173
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=13815173&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Oxanes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Oxanes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Oxanes
• Alternative Parents: Ynones Tertiary alcohols Oxacyclic compounds Dialkyl ethers Acetylides Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Ynone - Oxane - Tertiary alcohol - Acetylide - Oxacycle - Ether - Dialkyl ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Alcohol - Aliphatic heteromonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as oxanes. These are compounds containing an oxane (tetrahydropyran) ring, which is a six-member saturated aliphatic heterocycle with one oxygen atom and five 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

Proprietà chimiche e fisiche

• Peso molecolare: 126.150 g/mol
• XLogP3: -0.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 126.068 Da
• Monoisotopic Mass: 126.068 Da
• Topological Polar Surface Area: 29.500 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 136.000
• 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