cis-2,2-Dimethyl-3-hexene - ≥95%(GC) , CAS No.690-92-6

CAS: 690-92-6 Cat. No.: C153575 Fórmula: C₈H₁₆ Peso molecular: 112.22 Número EC: 679-783-1

GRADE & PURITY ≥95%(GC)

Synonyms

(3Z)-2,2-Dimethyl-3-hexene # | JPLZSSHKQZJYTJ-SREVYHEPSA-N | 3-Hexene, 2,2-dimethyl-, (3Z)- | (Z)-2,2-dimethyl-hex-3-ene | (Z)-2,2-dimethylhex-3-ene | 2,2-DIMETHYL-3-HEXENE, (3Z)- | 2,2-Dimethyl-3-hexene (cis) | (Z)-2,2-Dimethyl-3-hexene | NSC 74165 | NSC

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

(3Z)-2,2-Dimethyl-3-hexene # | JPLZSSHKQZJYTJ-SREVYHEPSA-N | 3-Hexene, 2,2-dimethyl-, (3Z)- | (Z)-2,2-dimethyl-hex-3-ene | (Z)-2,2-dimethylhex-3-ene | 2,2-DIMETHYL-3-HEXENE, (3Z)- | 2,2-Dimethyl-3-hexene (cis) | (Z)-2,2-Dimethyl-3-hexene | NSC 74165 | NSC

Especificaciones y pureza

≥95%(GC)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥95%(GC)

Nombres e identificadores

Sonrisas canónicas

CCC=CC(C)(C)C

IUPAC Name

(Z)-2,2-dimethylhex-3-ene

InChIKey

JPLZSSHKQZJYTJ-SREVYHEPSA-N

INCHI

1S/C8H16/c1-5-6-7-8(2,3)4/h6-7H,5H2,1-4H3/b7-6-

Isómeros SMILES

CC/C=C\C(C)(C)C

Peso molecular

112.22

Reaxy-Rn

22125700

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=22125700&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Hydrocarbons
• Clase: 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
• Descripción: 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

Propiedades químicas y físicas

• Índice de refracción: 1.41
• Punto de inflamación (°F): 4°C(lit.)
• Punto de inflamación (°C): 4°C(lit.)
• Punto de ebullición (°C): 105 °C
• Peso molecular: 112.210 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• 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: 72.500
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1