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

CAS: 85081-69-2 Cat. No.: E487313 分子式: C₈H₁₄O 分子量: 126.2 EC番号: 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

概要

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

同義語

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

仕様と純度

≥98%

保管条件

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

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥98%

名前と識別子

• パブケム・シド: 488195533
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/488195533
• カノニカル・スマイル: 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-
• 異性体SMILES: C1C/C=C\CCC(C1)O
• 分子量: 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
    • 分類 Organooxygen compounds
      • Subclass Alcohols and polyols

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• 分類: 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
• 説明: 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

化学的性質と物理的性質

• 感度: Light sensitive;Heat sensitive
• 引火点（°F）: Not applicable
• 引火点（°C）: Not applicable
• 分子量: 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