Cyclopentadecanol - ≥96%(GC) , CAS No.4727-17-7

CAS: 4727-17-7 Cat. No.: C154093 Fórmula: C₁₅H₃₀O Peso molecular: 226.4 Beilstein Registry Number: 6(4)185

GRAU & PUREZA ≥96%(GC)

Synonyms

AI3-37207 | DTXCID0040545 | DTXSID5063578 | Q27274159 | AX02BP4A5S | Normuscol | SY048869 | D89420 | EINECS 225-221-1 | Hydroxycyclopentadecane | UNII-AX02BP4A5S | MFCD00039425 | EXALTOL | AKOS024286277 | SCHEMBL811994 | Cyclopentadecan-1-ol | Cyclopentad

Storage

Room temperature,Desiccated

Shipped In

Normal

Especificações

Sinónimos

AI3-37207 | DTXCID0040545 | DTXSID5063578 | Q27274159 | AX02BP4A5S | Normuscol | SY048869 | D89420 | EINECS 225-221-1 | Hydroxycyclopentadecane | UNII-AX02BP4A5S | MFCD00039425 | EXALTOL | AKOS024286277 | SCHEMBL811994 | Cyclopentadecan-1-ol | Cyclopentad

Especificações e pureza

≥96%(GC)

Condições de armazenamento de armazenamento

Room temperature,Desiccated

Enviado em

Normal

Pureza

≥96%(GC)

Nomes e identificadores

Pubchem Sid

504756612

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504756612

Sorrisos canónicos

C1CCCCCCCC(CCCCCC1)O

IUPAC Name

cyclopentadecanol

InChIKey

FFVHXGZXDRXFLQ-UHFFFAOYSA-N

INCHI

1S/C15H30O/c16-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-15/h15-16H,1-14H2

SMILES isoméricas

C1CCCCCCCC(CCCCCC1)O

Peso molecular

226.4

Beilstein

6(4)185

Reaxy-Rn

2076040

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2076040&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: 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
• Descrição: 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

Propriedades químicas e físicas

• Ponto de fusão (°C): 85 °C
• Peso molecular: 226.400 g/mol
• XLogP3: 5.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 226.23 Da
• Monoisotopic Mass: 226.23 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 128.000
• 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