Ethyl-tetramethylcyclopentadiene - ≥97% , CAS No.57693-77-3

CAS: 57693-77-3 Cat. No.: E332391 Formula: C₁₁H₁₈ Peso molecolare: 150.26 Numero EC: 623-501-1

GRADE & PURITY ≥97%

Synonyms

5-ethyl-1,2,3,4-tetramethylcyclopenta-1,3-diene | MXYDFFLUOPTQFI-UHFFFAOYSA-N | DTXSID60342872 | 7-HYDROXY-1,3-BENZODIOXOLE-5-CARBOXYLICACID | 5-Ethyl-1,2,3,4-tetramethyl-1,3-cyclopentadiene # | Ethyl-tetramethylcylopentadiene | MFCD00012026 | FT-0719735

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

5-ethyl-1,2,3,4-tetramethylcyclopenta-1,3-diene | MXYDFFLUOPTQFI-UHFFFAOYSA-N | DTXSID60342872 | 7-HYDROXY-1,3-BENZODIOXOLE-5-CARBOXYLICACID | 5-Ethyl-1,2,3,4-tetramethyl-1,3-cyclopentadiene # | Ethyl-tetramethylcylopentadiene | MFCD00012026 | FT-0719735

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥97%

Nomi e identificatori

• Sorrisi canonici: CCC1C(=C(C(=C1C)C)C)C
• IUPAC Name: 5-ethyl-1,2,3,4-tetramethylcyclopenta-1,3-diene
• InChIKey: MXYDFFLUOPTQFI-UHFFFAOYSA-N
• INCHI: 1S/C11H18/c1-6-11-9(4)7(2)8(3)10(11)5/h11H,6H2,1-5H3
• Isomeri SMILES: CCC1C(=C(C(=C1C)C)C)C
• WGK Germania: 3
• Peso molecolare: 150.26
• Reaxy-Rn: 2349373
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2349373&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Hydrocarbons
    • Classe Unsaturated hydrocarbons
      • Subclass Branched unsaturated hydrocarbons

• Kingdom: Organic compounds
• Superclass: Hydrocarbons
• Classe: Unsaturated hydrocarbons
• Subclass: Branched unsaturated hydrocarbons
• Intermediate Tree Nodes: Not available
• Direct Parent: Branched unsaturated hydrocarbons
• Alternative Parents: Cycloalkenes Unsaturated aliphatic hydrocarbons
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Branched unsaturated hydrocarbon - Cycloalkene - Cyclic olefin - Unsaturated aliphatic hydrocarbon - Olefin - Aliphatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as branched unsaturated hydrocarbons. These are hydrocarbons that contains one or more unsaturated carbon atoms, and an aliphatic branch.
• 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

• Indice di rifrazione: 1.479
• Punto di infiammabilità (°F): 131 °F
• Punto di infiammabilità (°C): 55 °C
• Punto di ebollizione (°C): 60° C at 5 mmHg
• Peso molecolare: 150.260 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 150.141 Da
• Monoisotopic Mass: 150.141 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 204.000
• 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