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

CAS: 57693-77-3 Cat. No.: E332391 Molecular Weight: 150.26 EC Number: 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

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

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Canonical Smiles: 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
• Isomeric SMILES: CCC1C(=C(C(=C1C)C)C)C
• WGK Germany: 3
• Molecular Weight: 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
    • Class Unsaturated hydrocarbons
      • Subclass Branched unsaturated hydrocarbons

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

Chemical and Physical Properties

• Refractive Index: 1.479
• Flash Point(°F): 131 °F
• Flash Point(°C): 55 °C
• Boil Point(°C): 60° C at 5 mmHg
• Molecular Weight: 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