Hept-1-en-6-yne - ≥95%, Stabilized with TBC , CAS No.65939-59-5

CAS: 65939-59-5 Cat. No.: H1349480 Molecular Weight: 94.15 EC Number: 819-396-9

GRADE & PURITY ≥95%, Stabilized with TBC

Storage

Room temperature

Shipped In

Normal

Specifications

Specifications & Purity

≥95%, Stabilized with TBC

Storage

Room temperature

Shipped In

Normal

Purity

≥95%

Names and Identifiers

• Canonical Smiles: C=CCCCC#C
• IUPAC Name: hept-1-en-6-yne
• InChIKey: SPWJYVWGTHWHOX-UHFFFAOYSA-N
• INCHI: 1S/C7H10/c1-3-5-7-6-4-2/h1,4H,2,5-7H2
• Molecular Weight: 94.15

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Hydrocarbons
• Class: 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
• Description: 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

Chemical and Physical Properties

• Molecular Weight: 94.150 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 3
• Exact Mass: 94.0783 Da
• Monoisotopic Mass: 94.0783 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 81.500
• 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