(E)-Cyclooct-4-enol - ≥98% , CAS No.85081-69-2

CAS: 85081-69-2 Cat. No.: E487313 Fórmula: C₈H₁₄O Peso molecular: 126.2 Número EC: 804-384-8

GRADE & PURITY ≥98%

Synonyms

MFCD06252442 | W-202740 | 4-Cyclooctenol | DimethylmalonsA currencyure | Cyclooct-4-enol | 1,1-Dichlor-1-nitroaethan [German] | H10619 | AS-19720 | J-800364 | Volidan | (4E)-CO-OH | 4-Cycloocten-1-ol, stereoisomer | EN300-316153 | 5-hydroxycyclooctene | r

Storage

Protected from light,Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Application

227,228,229

Descripción general

Description

Hydroxyl modified cyclooctene derivative. Cyclooctenes are useful in strain-promoted copper-free click chemistry cycloaddition reactions with 1,2,4,5-tetrazines. This cyclooctene will react with tetrazine functionalized compounds or biomolecules without the need for a catalyst to result in a stable covalent linkage. The 4+2 inverse electron demand Diels-Alder cycloaddition between trans-cyclooctene and tetrazines is the fastest biologically compatible ligation technology reported and has had many applications in biological labeling and imaging.(E)-Cyclooct-4-enol may be used in the multi-step synthesis of trans-cyclooctene geranyl diphosphate, a novel strained-ring containing protein farnesyltransferase (PFTase) substrate that can be used in site-specific modification technologies.

Specifications

Sinónimos

MFCD06252442 | W-202740 | 4-Cyclooctenol | DimethylmalonsA currencyure | Cyclooct-4-enol | 1,1-Dichlor-1-nitroaethan [German] | H10619 | AS-19720 | J-800364 | Volidan | (4E)-CO-OH | 4-Cycloocten-1-ol, stereoisomer | EN300-316153 | 5-hydroxycyclooctene | r

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Protected from light,Store at -20°C,Argon charged

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488195533
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488195533
• Sonrisas canónicas: C1CC=CCCC(C1)O
• IUPAC Name: (4Z)-cyclooct-4-en-1-ol
• InChIKey: UCPDHOTYYDHPEN-UPHRSURJSA-N
• INCHI: 1S/C8H14O/c9-8-6-4-2-1-3-5-7-8/h1-2,8-9H,3-7H2/b2-1-
• Isómeros SMILES: C1C/C=C\CCC(C1)O
• Peso molecular: 126.2
• Reaxy-Rn: 2498868
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2498868&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Clase Organooxygen compounds
      • Subclass Alcohols and polyols

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: Organooxygen compounds
• Subclass: Alcohols and polyols
• Intermediate Tree Nodes: Not available
• Direct Parent: Secondary alcohols
• Alternative Parents: Hydrocarbon derivatives
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Secondary alcohol - Hydrocarbon derivative - Aliphatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as secondary alcohols. These are compounds containing a secondary alcohol functional group, with the general structure HOC(R)(R') (R,R'=alkyl, aryl).
• 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

• Sensibilidad: Light sensitive;Heat sensitive
• Punto de inflamación (°F): Not applicable
• Punto de inflamación (°C): Not applicable
• Peso molecular: 126.200 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 126.104 Da
• Monoisotopic Mass: 126.104 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 96.700
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1