3-Ethoxycarbonyl-5,6-dihydro-2-methyl-4H-pyran - ≥95%(GC) , CAS No.10226-28-5

CAS: 10226-28-5 Cat. No.: E156324 Peso molecular: 170.21 Número EC: 233-543-9

GRADE & PURITY ≥95%(GC)

Synonyms

F12642 | FT-0671619 | 2H-Pyran-5-carboxylic acid, 3,4-dihydro-6-methyl-, ethyl ester | F2147-5237 | Ethyl 6-methyl-3,4-dihydro-2H-pyran-5-carboxylate # | J-000661 | Ethyl 6-methyl-3,4-dihydro-2H-pyran-5-carboxylate | AKOS003604262 | G88MLX4ZEH | 2-methyl-

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

F12642 | FT-0671619 | 2H-Pyran-5-carboxylic acid, 3, 4-dihydro-6-methyl-, ethyl ester | F2147-5237 | Ethyl 6-methyl-3, 4-dihydro-2H-pyran-5-carboxylate # | J-000661 | Ethyl 6-methyl-3, 4-dihydro-2H-pyran-5-carboxylate | AKOS003604262 | G88MLX4ZEH | 2-methyl-

Especificaciones y pureza

≥95%(GC)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥95%(GC)

Nombres e identificadores

• Pubchem Sid: 488186099
• Sonrisas canónicas: CCOC(=O)C1=C(OCCC1)C
• IUPAC Name: ethyl 6-methyl-3,4-dihydro-2H-pyran-5-carboxylate
• InChIKey: BWVSWJMSYLYIJA-UHFFFAOYSA-N
• INCHI: 1S/C9H14O3/c1-3-11-9(10)8-5-4-6-12-7(8)2/h3-6H2,1-2H3
• Isómeros SMILES: CCOC(=O)C1=C(OCCC1)C
• Peso molecular: 170.21
• Reaxy-Rn: 117963
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=117963&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Vinylogous esters

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Vinylogous esters
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Vinylogous esters
• Alternative Parents: Enoate esters Oxacyclic compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Vinylogous ester - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as vinylogous esters. These are organic compounds containing an ester group, which is indirectly attached to a carbonyl via an intervening vinyl (>C=C<) moiety.
• 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: 170.210 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 170.094 Da
• Monoisotopic Mass: 170.094 Da
• Topological Polar Surface Area: 35.500 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 206.000
• 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