Dimethoxypillar[5]arene - ≥98%(HPLC) , CAS No.1188423-16-6

CAS: 1188423-16-6 Cat. No.: D154968 Peso molecular: 750.89 Número EC: 808-023-5

GRADE & PURITY ≥98%(HPLC)

Synonyms

12,15,32,35,52,55,72,75,92,95-Decamethoxy-1,3,5,7,9(1,4)-pentabenzenacyclodecaphane | 4,9,14,19,24,26,28,30,32,34-decamethoxyhexacyclo[21.2.2.23,6.28,11.213,16.218,21]pentatriaconta-1(25),3(35),4,6(34),8(33),9,11(32),13(31),14,16(30),18,20,23,26,28-pentad

Storage

Room temperature,Desiccated,Cool

Shipped In

Normal

Specifications

Sinónimos

12, 15, 32, 35, 52, 55, 72, 75, 92, 95-Decamethoxy-1, 3, 5, 7, 9(1, 4)-pentabenzenacyclodecaphane | 4, 9, 14, 19, 24, 26, 28, 30, 32, 34-decamethoxyhexacyclo[21.2.2.23, 6.28, 11.213, 16.218, 21]pentatriaconta-1(25), 3(35), 4, 6(34), 8(33), 9, 11(32), 13(31), 14, 16(30), 18, 20, 23, 26, 28-pentad

Especificaciones y pureza

≥98%(HPLC)

Condiciones de almacenamiento de almacenamiento

Room temperature, Desiccated, Cool

Enviado en

Normal

Pureza

≥98%(HPLC)

Nombres e identificadores

• Pubchem Sid: 504770979
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504770979
• Sonrisas canónicas: COC1=CC2=C(C=C1CC3=CC(=C(CC4=CC(=C(CC5=C(C=C(CC6=C(C=C(C2)C(=C6)OC)OC)C(=C5)OC)OC)C=C4OC)OC)C=C3OC)OC)OC
• IUPAC Name: 4,9,14,19,24,26,28,30,32,34-decamethoxyhexacyclo[21.2.2.23,6.28,11.213,16.218,21]pentatriaconta-1(25),3(35),4,6(34),8(33),9,11(32),13(31),14,16(30),18,20,23,26,28-pentadecaene
• InChIKey: HJDHAGKELBPBLT-UHFFFAOYSA-N
• INCHI: 1S/C45H50O10/c1-46-36-16-27-12-29-19-41(51-6)31(21-40(29)50-5)14-33-23-45(55-10)35(25-44(33)54-9)15-34-24-42(52-7)32(22-43(34)53-8)13-30-20-38(48-3)28(18-39(30)49-4)11-26(36)17-37(27)47-2/h16-25H,11-15H2,1-10H3
• Isómeros SMILES: COC1=CC2=C(C=C1CC3=CC(=C(CC4=CC(=C(CC5=C(C=C(CC6=C(C=C(C2)C(=C6)OC)OC)C(=C5)OC)OC)C=C4OC)OC)C=C3OC)OC)OC
• Peso molecular: 750.89
• Reaxy-Rn: 18618351
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=18618351&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Phenol ethers
      • Subclass Anisoles

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Phenol ethers
• Subclass: Anisoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Anisoles
• Alternative Parents: Alkyl aryl ethers Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Anisole - Alkyl aryl ether - Ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homopolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as anisoles. These are organic compounds containing a methoxybenzene or a derivative thereof.
• 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

• Punto de fusión (°C): 249°C
• Peso molecular: 750.900 g/mol
• XLogP3: 9.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 10
• Exact Mass: 750.34 Da
• Monoisotopic Mass: 750.34 Da
• Topological Polar Surface Area: 92.300 Ų
• Heavy Atom Count: 55
• Formal Charge: 0
• Complexity: 850.000
• 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