15-Crown-5 - ≥97% , CAS No.33100-27-5

CAS: 33100-27-5 Cat. No.: C105798 Molecular Weight: 220.26 Beilstein Registry Number: 1618144 EC Number: 251-379-6

GRADE & PURITY ≥97%

Synonyms

15C5 | 15-Crown-5(1,4,7,10,13-Pentaoxacyclopentadecane) | EN300-6743610 | EYO | MFCD00005110 | 1, 4, 7, 10, 13-pentaoxacyclopentadecane | 15-Crown 5-Ether | 15-Crown-5, Vetec(TM) reagent grade, 98% | AKOS005622525 | 15-Crown-5, purum, >=98.0% (GC) | EINEC

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

15C5 | 15-Crown-5(1, 4, 7, 10, 13-Pentaoxacyclopentadecane) | EN300-6743610 | EYO | MFCD00005110 | 1, 4, 7, 10, 13-pentaoxacyclopentadecane | 15-Crown 5-Ether | 15-Crown-5, Vetec(TM) reagent grade, 98% | AKOS005622525 | 15-Crown-5, purum, >=98.0% (GC) | EINEC

Specifications & Purity

≥97%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 488183275
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488183275
• Canonical Smiles: C1COCCOCCOCCOCCO1
• IUPAC Name: 1,4,7,10,13-pentaoxacyclopentadecane
• InChIKey: VFTFKUDGYRBSAL-UHFFFAOYSA-N
• INCHI: 1S/C10H20O5/c1-2-12-5-6-14-9-10-15-8-7-13-4-3-11-1/h1-10H2
• Isomeric SMILES: C1COCCOCCOCCOCCO1
• WGK Germany: 3
• RTECS: SB0200000
• Molecular Weight: 220.26
• Beilstein: 1618144
• Reaxy-Rn: 1618144
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1618144&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Ethers

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Ethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Dialkyl ethers
• Alternative Parents: Oxacyclic compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Oxacycle - Organoheterocyclic compound - Dialkyl ether - Hydrocarbon derivative - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as dialkyl ethers. These are organic compounds containing the dialkyl ether functional group, with the formula ROR', where R and R' are alkyl groups.
• External Descriptors: saturated organic heteromonocyclic parent - crown ether

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

Associated Targets(non-human)

Ttr Transthyretin (14 Activities)

Discover Target: Ttr

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Miscible with organic solvents.
• Sensitivity: Moisture sensitive
• Refractive Index: 1.465
• Flash Point(°F): 235.4 °F
• Flash Point(°C): 113 °C
• Boil Point(°C): 93-96 °C/0.05 mmHg
• Melt Point(°C): -20°C
• Molecular Weight: 220.260 g/mol
• XLogP3: -0.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 220.131 Da
• Monoisotopic Mass: 220.131 Da
• Topological Polar Surface Area: 46.200 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 86.200
• 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

References

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