3,3-Dimethyl-1-hexene - ≥98%(GC) , CAS No.3404-77-1

CAS: 3404-77-1 Cat. No.: D155275 Summenformel: C₈H₁₆ Molekulargewicht: 112.22 EG-Nummer: 679-721-3

GRADE & PURITY ≥98%(GC)

Synonyms

T70796 | InChI=1/C8H16/c1-5-7-8(3,4)6-2/h6H,2,5,7H2,1,3-4H | FT-0691962 | D1243 | DTXSID00187648 | 3,3-dimethylhex-1-ene | 3,3-Dimethyl-1-hexene | RXYYKIMRVXDSFR-UHFFFAOYSA-N | 1-Hexene, 3,3-dimethyl- | MFCD00048727

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

T70796 | InChI=1/C8H16/c1-5-7-8(3,4)6-2/h6H,2,5,7H2,1,3-4H | FT-0691962 | D1243 | DTXSID00187648 | 3,3-dimethylhex-1-ene | 3,3-Dimethyl-1-hexene | RXYYKIMRVXDSFR-UHFFFAOYSA-N | 1-Hexene, 3,3-dimethyl- | MFCD00048727

Spezifikationen & Reinheit

≥98%(GC)

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥98%(GC)

Namen und Kennungen

• Kanonisches Lächeln: CCCC(C)(C)C=C
• IUPAC Name: 3,3-dimethylhex-1-ene
• InChIKey: RXYYKIMRVXDSFR-UHFFFAOYSA-N
• INCHI: 1S/C8H16/c1-5-7-8(3,4)6-2/h6H,2,5,7H2,1,3-4H3
• Isomere SMILES: CCCC(C)(C)C=C
• Molekulargewicht: 112.22
• Reaxy-Rn: 1734056
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1734056&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Hydrocarbons
    • Klasse Unsaturated hydrocarbons
      • Subclass Unsaturated aliphatic hydrocarbons

• Kingdom: Organic compounds
• Superclass: Hydrocarbons
• Klasse: Unsaturated hydrocarbons
• Subclass: Unsaturated aliphatic hydrocarbons
• Intermediate Tree Nodes: Not available
• Direct Parent: Unsaturated aliphatic hydrocarbons
• Alternative Parents: Alkenes
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Unsaturated aliphatic hydrocarbon - Olefin - Alkene - Acyclic olefin - Aliphatic acyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as unsaturated aliphatic hydrocarbons. These are aliphatic Hydrocarbons that contains one or more unsaturated carbon atoms. These compounds contain one or more double or triple bonds.
• 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

• Brechungsindex: 1.41
• Flammpunkt (°C): 11 °C
• Siedepunkt (°C): 104°C
• Molekulargewicht: 112.210 g/mol
• XLogP3: 3.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 3
• Exact Mass: 112.125 Da
• Monoisotopic Mass: 112.125 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 70.100
• 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