Copper bis(2-ethylhexanoate) - Cu ~8%(contains Hexane ) , CAS No.149-11-1

CAS: 149-11-1 Cat. No.: C189027 Fórmula: C₁₆H₃₀CuO₄ Peso molecular: 349.95 Número CE: 205-731-0

GRADE & PURITY Cu ~8%(contains Hexane )

Synonyms

Copper 2-ethylhexanoate | Copper(II) 2-ethylhexanoate

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

Copper 2-ethylhexanoate | Copper(II) 2-ethylhexanoate

Especificações e pureza

Cu ~8%(contains Hexane )

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Nomes e identificadores

Pubchem Sid

488186809

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488186809

Sorrisos canónicos

CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].[Cu+2]

IUPAC Name

copper;2-ethylhexanoate

InChIKey

SEKCXMNFUDONGJ-UHFFFAOYSA-L

INCHI

1S/2C8H16O2.Cu/c2*1-3-5-6-7(4-2)8(9)10;/h2*7H,3-6H2,1-2H3,(H,9,10);/q;;+2/p-2

SMILES isoméricas

CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].[Cu+2]

Peso molecular

349.95

Reaxy-Rn

13252955

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=13252955&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Classe Fatty Acyls
      • Subclass Fatty acids and conjugates

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: Fatty Acyls
• Subclass: Fatty acids and conjugates
• Intermediate Tree Nodes: Not available
• Direct Parent: Medium-chain fatty acids
• Alternative Parents: Branched fatty acids Carboxylic acid salts Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Organic copper salts Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Not available
• Substituents: Medium-chain fatty acid - Branched fatty acid - Carboxylic acid salt - Organic transition metal salt - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic copper salt - Organic salt - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• Descrição: This compound belongs to the class of organic compounds known as medium-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 4 and 12 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

Propriedades químicas e físicas

• Solubilidade: Soluble in water, alcohols, dichloroethane, chlorobenzene, and most organic solvents.
• Peso molecular: 349.950 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 8
• Exact Mass: 349.144 Da
• Monoisotopic Mass: 349.144 Da
• Topological Polar Surface Area: 80.300 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 93.900
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 2
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 3

XLogP3