1-Penten-4-yne - ≥95% , CAS No.871-28-3

CAS: 871-28-3 Cat. No.: P1347640 Formula: C₅H₆ Peso molecolare: 66.1 Numero EC: 963-074-1

GRADE & PURITY ≥95%

Storage

Room temperature

Specifications

Specifiche e purezza

≥95%

Condizioni di conservazione di stoccaggio

Room temperature

Purezza

≥95%

Nomi e identificatori

Sorrisi canonici

C=CCC#C

IUPAC Name

pent-1-en-4-yne

InChIKey

LKOBTUTURSPCEE-UHFFFAOYSA-N

INCHI

1S/C5H6/c1-3-5-4-2/h1,4H,2,5H2

Peso molecolare

66.1

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Hydrocarbons
    • Classe Unsaturated hydrocarbons
      • Subclass Enynes

• Kingdom: Organic compounds
• Superclass: Hydrocarbons
• Classe: Unsaturated hydrocarbons
• Subclass: Enynes
• Intermediate Tree Nodes: Not available
• Direct Parent: Enynes
• Alternative Parents: Acetylides Unsaturated aliphatic hydrocarbons Acyclic olefins Acyclic acetylenes
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Enyne - Acetylide - Unsaturated aliphatic hydrocarbon - Olefin - Acyclic olefin - Acyclic acetylene - Acetylene - Aliphatic acyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as enynes. These are hydrocarbons containing an alkene and an alkyne group.
• 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

Proprietà chimiche e fisiche

• Peso molecolare: 66.100 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 66.047 Da
• Monoisotopic Mass: 66.047 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 5
• Formal Charge: 0
• Complexity: 61.400
• 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