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Bis(1,4-phenylene)-34-crown 10-Ether , CAS No.53914-95-7
Basic Description
Synonyms
2,5,8,11,14,19,22,25,28,31-Decaoxatricyclo[30.2.2.2(15,18)]octatriconta-15,17,32,34,35,37-hexadiene | D88915 | MFCD02066192 | Bis(1,4-phenylene)-34-crown 10-Ether | 2,5,8,11,14,19,22,25,28,31-decaoxa-tricyclo[30,2,2,2 15,18]octatriaconta-1(34),15,17,32,35
Storage Temp
Store at 2-8°C,Protected from light
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic oxygen compounds
Class
Organooxygen compounds
Subclass
Ethers
Intermediate Tree Nodes
Not available
Direct Parent
Alkyl aryl ethers
Alternative Parents
Benzenoids Oxacyclic compounds Dialkyl ethers Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl aryl ether - Benzenoid - Oxacycle - Organoheterocyclic compound - Dialkyl ether - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as alkyl aryl ethers. These are organic compounds containing the alkyl aryl ether functional group with the generic formula R-O-R' , where R is an alkyl group and R' is an aryl group.
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.
Names and Identifiers
Pubchem Sid
504759607
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504759607
IUPAC Name
2,5,8,11,14,19,22,25,28,31-decaoxatricyclo[30.2.2.215,18]octatriaconta-1(35),15,17,32(36),33,37-hexaene
INCHI
InChI=1S/C28H40O10/c1-2-26-4-3-25(1)35-21-17-31-13-9-29-11-15-33-19-23-37-27-5-7-28(8-6-27)38-24-20-34-16-12-30-10-14-32-18-22-36-26/h1-8H,9-24H2
InChIKey
REKDBTBSNFSNGP-UHFFFAOYSA-N
Smiles
C1COCCOC2=CC=C(C=C2)OCCOCCOCCOCCOC3=CC=C(C=C3)OCCOCCO1
Isomeric SMILES
C1COCCOC2=CC=C(C=C2)OCCOCCOCCOCCOC3=CC=C(C=C3)OCCOCCO1
Molecular Weight
536.61
Reaxy-Rn
1632594
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1632594&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Sensitivity
Light sensitive
Melt Point(°C)
69.0 to 73.0 °C
Molecular Weight
536.600 g/mol
XLogP3
2.400
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
10
Rotatable Bond Count
0
Exact Mass
536.262 Da
Monoisotopic Mass
536.262 Da
Topological Polar Surface Area
92.300 Ų
Heavy Atom Count
38
Formal Charge
0
Complexity
434.000
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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H2314011