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

CAS: 57693-77-3 Cat. No.: E332391 분자식: C₁₁H₁₈ 분자량: 150.26 EC 번호: 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

동의어

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

사양 및 순도

≥97%

보관 조건

Room temperature

배송

Normal

순수함

≥97%

이름과 식별자

정식 스마일

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

이성체 SMILES

CCC1C(=C(C(=C1C)C)C)C

WGK 독일

3

분자량

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
    • 분류 Unsaturated hydrocarbons
      • Subclass Branched unsaturated hydrocarbons

• Kingdom: Organic compounds
• Superclass: Hydrocarbons
• 분류: 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
• 설명: 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

화학 및 물리적 특성

• 굴절률: 1.479
• 발화점(°F): 131 °F
• 발화점(°C): 55 °C
• 끓는점(°C): 60° C at 5 mmHg
• 분자량: 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