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Dimethoxypillar[5]arene - >98.0%(HPLC), high purity , CAS No.1188423-16-6

COA

Grade & Purity:

≥98%(HPLC)

Cas Number: 1188423-16-6
Molecular Weight: 750.89
PubChem CID: 50940580
PubChem SID: 504770979

In stock

Item Number

D154968

Grouped product items
SKU	Size	Availability	Price
D154968-100mg	100mg	2	$47.90
D154968-250mg	250mg	3	$89.90
D154968-1g	1g	2	$279.90

View related series

aromatic hydrocarbon (251) Material synthetic block (276) Pillararenes (1) Supramolecular host materials (5)

Basic Description

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
Specifications & Purity	≥98%(HPLC)
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Phenol ethers
    - Subclass Anisoles

Kingdom	Organic compounds
Superclass	Benzenoids
Class	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
Description	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
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

Names and Identifiers

Pubchem Sid	504770979
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504770979
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
INCHI	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
InChIKey	HJDHAGKELBPBLT-UHFFFAOYSA-N
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
Isomeric 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
Molecular Weight	750.89
Reaxy-Rn	18618351
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=18618351&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

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Analytical Chart:

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6 results found

Lot Number	Certificate Type	Date	Item
F2418373	Certificate of Analysis	May 14, 2024	D154968
F2418374	Certificate of Analysis	May 14, 2024	D154968
F2418375	Certificate of Analysis	May 14, 2024	D154968
F2204520	Certificate of Analysis	Mar 15, 2022	D154968
F2328171	Certificate of Analysis	Mar 15, 2022	D154968
F2204543	Certificate of Analysis	Mar 15, 2022	D154968

Chemical and Physical Properties

Melt Point(°C)	249°C
Molecular Weight	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 Å²
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

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