1,5-Decadiyne - ≥97% , CAS No.53963-03-4

CAS: 53963-03-4 Cat. No.: D155780 Fórmula: C₁₀H₁₄ Peso molecular: 134.22 Número EC: 679-777-9

GRADE & PURITY ≥97%

Synonyms

deca-1,5-diyne | D1724 | BS-22675 | DTXSID7068895 | 1,5-Decadiyne, AldrichCPR | 1,5-Decadiyne | SY052159 | MFCD00041651 | D83407 | FT-0703217 | AKOS015836211

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

deca-1,5-diyne | D1724 | BS-22675 | DTXSID7068895 | 1,5-Decadiyne, AldrichCPR | 1,5-Decadiyne | SY052159 | MFCD00041651 | D83407 | FT-0703217 | AKOS015836211

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

Pubchem Sid

528753878

Sonrisas canónicas

CCCCC#CCCC#C

IUPAC Name

deca-1,5-diyne

InChIKey

IWIDILFDSIIOSB-UHFFFAOYSA-N

INCHI

1S/C10H14/c1-3-5-7-9-10-8-6-4-2/h1H,4-8H2,2H3

Isómeros SMILES

CCCCC#CCCC#C

Peso molecular

134.22

Reaxy-Rn

2070366

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2070366&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Acetylides

• Kingdom: Organic compounds
• Superclass: Acetylides
• Clase: Not available
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Acetylides
• Alternative Parents: Unsaturated aliphatic hydrocarbons Acyclic acetylenes
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Acetylide - Unsaturated aliphatic hydrocarbon - Unsaturated hydrocarbon - Acyclic acetylene - Acetylene - Hydrocarbon - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as acetylides. These are compounds arising by replacement of one or both hydrogen atoms of acetylene (ethyne) by a metal or other cationic group. E.g. NaC#CH monosodium acetylide. By extension, analogous compounds derived from terminal acetylenes, RC#CH. The class is limited here to derivatives of acetylene where the hydrogen atom is replaced with an element with similar or lower electronegativity that carbon.
• 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

• Índice de refracción: 1.46
• Punto de ebullición (°C): 79°C/20mmHg(lit.)
• Peso molecular: 134.220 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 3
• Exact Mass: 134.11 Da
• Monoisotopic Mass: 134.11 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 166.000
• 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