Ciclopentilmalonato de dietilo - ≥95%(GC) , CAS No.18928-91-1

CAS: 18928-91-1 Cat. No.: D154137 Fórmula: C₁₂H₂₀O₄ Peso molecular: 228.29 Número CE: 895-307-7

GRAU & PUREZA ≥95%(GC)

Synonyms

Diethyl cyclopentylmalonate | Propanedioic acid, cyclopentyl-, diethyl ester | A880461 | Cyclopentylmalonic Acid Diethyl Ester | cyclopentyl-malonic acid diethyl ester | MFCD00059514 | SCHEMBL334541 | WXPOKLNJWFXXQO-UHFFFAOYSA- | diethyl 2-cyclopentylprop

Storage

Room temperature

Shipped In

Normal

Especificações

Sinónimos

Diethyl cyclopentylmalonate | Propanedioic acid, cyclopentyl-, diethyl ester | A880461 | Cyclopentylmalonic Acid Diethyl Ester | cyclopentyl-malonic acid diethyl ester | MFCD00059514 | SCHEMBL334541 | WXPOKLNJWFXXQO-UHFFFAOYSA- | diethyl 2-cyclopentylprop

Especificações e pureza

≥95%(GC)

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥95%(GC)

Nomes e identificadores

Pubchem Sid

528773267

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528773267

Sorrisos canónicos

CCOC(=O)C(C1CCCC1)C(=O)OCC

IUPAC Name

diethyl 2-cyclopentylpropanedioate

InChIKey

WXPOKLNJWFXXQO-UHFFFAOYSA-N

INCHI

1S/C12H20O4/c1-3-15-11(13)10(12(14)16-4-2)9-7-5-6-8-9/h9-10H,3-8H2,1-2H3

SMILES isoméricas

CCOC(=O)C(C1CCCC1)C(=O)OCC

Peso molecular

228.29

Reaxy-Rn

2052075

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2052075&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Carboxylic acids and derivatives
      • Subclass Dicarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Carboxylic acids and derivatives
• Subclass: Dicarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Dicarboxylic acids and derivatives
• Alternative Parents: 1,3-dicarbonyl compounds Carboxylic acid esters Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: 1,3-dicarbonyl compound - Dicarboxylic acid or derivatives - Carboxylic acid ester - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as dicarboxylic acids and derivatives. These are organic compounds containing exactly two carboxylic acid groups.
• 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

Propriedades químicas e físicas

• Índice de refração: 1.44
• Ponto de ebulição (°C): 138°C/13mmHg(lit.)
• Peso molecular: 228.280 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 228.136 Da
• Monoisotopic Mass: 228.136 Da
• Topological Polar Surface Area: 52.600 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 225.000
• 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