(2S,4S)-2-methyltetrahydropyran-4-ol - ≥97% , CAS No.82110-13-2

CAS: 82110-13-2 Cat. No.: M634601 Peso molecular: 116.16

GRADE & PURITY ≥97%

Synonyms

A922693 | (2S,4S)-2-methyltetrahydropyran-4-ol | PS-15942 | DTXSID80438448 | SCHEMBL6788556 | F85927 | cis-2-methyltetrahydropyran-4-ol | (2S,4S)-2-Methyltetrahydro-2H-pyran-4-ol | (2S,4S)-2-METHYLOXAN-4-OL

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

A922693 | (2S, 4S)-2-methyltetrahydropyran-4-ol | PS-15942 | DTXSID80438448 | SCHEMBL6788556 | F85927 | cis-2-methyltetrahydropyran-4-ol | (2S, 4S)-2-Methyltetrahydro-2H-pyran-4-ol | (2S, 4S)-2-METHYLOXAN-4-OL

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: CC1CC(CCO1)O
• IUPAC Name: (2S,4S)-2-methyloxan-4-ol
• InChIKey: ZHPKAPJNEIKPGV-WDSKDSINSA-N
• INCHI: 1S/C6H12O2/c1-5-4-6(7)2-3-8-5/h5-7H,2-4H2,1H3/t5-,6-/m0/s1
• Isómeros SMILES: C[C@H]1C[C@H](CCO1)O
• CAS alternativo: 82110-13-2
• Peso molecular: 116.16
• Reaxy-Rn: 102849
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=102849&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Oxanes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Oxanes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Oxanes
• Alternative Parents: Secondary alcohols Oxacyclic compounds Dialkyl ethers Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Oxane - Secondary alcohol - Oxacycle - Ether - Dialkyl ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Alcohol - Aliphatic heteromonocyclic compound
• Descripción: 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

Propiedades químicas y físicas

• Peso molecular: 116.160 g/mol
• XLogP3: 0.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 116.084 Da
• Monoisotopic Mass: 116.084 Da
• Topological Polar Surface Area: 29.500 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 72.900
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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