6-Phenyl-1-hexene - ≥98%, stabilized with TBC , CAS No.1588-44-9

CAS: 1588-44-9 Cat. No.: P1341584 Summenformel: C₁₂H₁₆ Molekulargewicht: 160.26 PubChem CID: 519188

GRADE & PURITY ≥98%, stabilized with TBC

Storage

Room temperature

Shipped In

Normal

Specifications

Spezifikationen & Reinheit

≥98%, stabilized with TBC

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

Kanonisches Lächeln

C=CCCCCC1=CC=CC=C1

IUPAC Name

hex-5-enylbenzene

InChIKey

UWAVXORKDISRCD-UHFFFAOYSA-N

INCHI

1S/C12H16/c1-2-3-4-6-9-12-10-7-5-8-11-12/h2,5,7-8,10-11H,1,3-4,6,9H2

Isomere SMILES

C=CCCCCC1=CC=CC=C1

PubChem CID

519188

Molekulargewicht

160.26

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzene and substituted derivatives
• Alternative Parents: Aromatic hydrocarbons Cyclic olefins
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Monocyclic benzene moiety - Aromatic hydrocarbon - Cyclic olefin - Unsaturated hydrocarbon - Olefin - Hydrocarbon - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
• 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 160.250 g/mol
• XLogP3: 4.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 5
• Exact Mass: 160.125 Da
• Monoisotopic Mass: 160.125 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 109.000
• 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