5,6-Dihydro-4-methoxy-2H-pyran - ≥95% , CAS No.17327-22-9

CAS: 17327-22-9 Cat. No.: D167892 Molecular Weight: 114.14 Beilstein Registry Number: 1341210 EC Number: 241-348-5

GRADE & PURITY ≥95%

Synonyms

AKOS015852298 | W-206051 | DTXSID20169567 | 2H-Pyran,3,6-dihydro-4-methoxy- | 2H-Pyran, 3,6-dihydro-4-methoxy- | 4-Methoxy-5,6-dihydropyran | 5,6-Dihydro-4-methoxy-2H-pyran, 95% | AMY33855 | AS-41810 | 5,6-Dihydro-4-methoxy-2H-pyran | SCHEMBL266354 | PB24

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

AKOS015852298 | W-206051 | DTXSID20169567 | 2H-Pyran, 3, 6-dihydro-4-methoxy- | 2H-Pyran, 3, 6-dihydro-4-methoxy- | 4-Methoxy-5, 6-dihydropyran | 5, 6-Dihydro-4-methoxy-2H-pyran, 95% | AMY33855 | AS-41810 | 5, 6-Dihydro-4-methoxy-2H-pyran | SCHEMBL266354 | PB24

Specifications & Purity

≥95%

Storage

Room temperature

Shipped In

Normal

Purity

≥95%

Names and Identifiers

• Canonical Smiles: COC1=CCOCC1
• IUPAC Name: 4-methoxy-3,6-dihydro-2H-pyran
• InChIKey: FSMHNRHLQAABPS-UHFFFAOYSA-N
• INCHI: 1S/C6H10O2/c1-7-6-2-4-8-5-3-6/h2H,3-5H2,1H3
• Isomeric SMILES: COC1=CCOCC1
• WGK Germany: 3
• Molecular Weight: 114.14
• Beilstein: 1341210
• Reaxy-Rn: 1341205
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1341205&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyrans

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyrans
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrans
• Alternative Parents: Oxacyclic compounds Dialkyl ethers Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Pyran - Oxacycle - Ether - Dialkyl ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as pyrans. These are compounds containing a pyran ring, which is a six-member heterocyclic, non-aromatic ring with five carbon atoms, one oxygen atom and two ring double bonds.
• 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

Chemical and Physical Properties

• Flash Point(°F): 114.8 °F
• Flash Point(°C): 46 °C
• Molecular Weight: 114.140 g/mol
• XLogP3: 0.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 114.068 Da
• Monoisotopic Mass: 114.068 Da
• Topological Polar Surface Area: 18.500 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 96.700
• 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