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Octadecamethylcyclononasiloxane - >98.0%(GC), high purity , CAS No.556-71-8
Basic Description
Synonyms
UNII-28W8JYZ0C6 | CYCLOMETHICONE 9 | T72613 | DTXSID5060308 | 2,2,4,4,6,6,8,8,10,10,12,12,14,14,16,16,18,18-Octadecamethylcyclononasiloxane # | ISXOGOLHEGHGQF-UHFFFAOYSA-N | 2,2,4,4,6,6,8,8,10,10,12,12,14,14,16,16,18,18-octadecamethyl-1,3,5,7,9,11,13,15,1
Specifications & Purity
≥98%(GC)
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organometallic compounds
Class
Organometalloid compounds
Subclass
Organosilicon compounds
Intermediate Tree Nodes
Not available
Direct Parent
Organoheterosilanes
Alternative Parents
Organic metalloid salts Organic oxygen compounds Hydrocarbon derivatives
Molecular Framework
Aliphatic heteromonocyclic compounds
Substituents
Organoheterosilane - Organic metalloid salt - Organic oxygen compound - Hydrocarbon derivative - Organic salt - Aliphatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as organoheterosilanes. These are organosilicon compounds where the tetravalent silicon atom is linked to one or more heteroatoms.
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
IUPAC Name
2,2,4,4,6,6,8,8,10,10,12,12,14,14,16,16,18,18-octadecamethyl-1,3,5,7,9,11,13,15,17-nonaoxa-2,4,6,8,10,12,14,16,18-nonasilacyclooctadecane
INCHI
InChI=1S/C18H54O9Si9/c1-28(2)19-29(3,4)21-31(7,8)23-33(11,12)25-35(15,16)27-36(17,18)26-34(13,14)24-32(9,10)22-30(5,6)20-28/h1-18H3
InChIKey
ISXOGOLHEGHGQF-UHFFFAOYSA-N
Smiles
C[Si]1(O[Si](O[Si](O[Si](O[Si](O[Si](O[Si](O[Si](O[Si](O1)(C)C)(C)C)(C)C)(C)C)(C)C)(C)C)(C)C)(C)C)C
Isomeric SMILES
C[Si]1(O[Si](O[Si](O[Si](O[Si](O[Si](O[Si](O[Si](O[Si](O1)(C)C)(C)C)(C)C)(C)C)(C)C)(C)C)(C)C)(C)C)C
Molecular Weight
667.39
Reaxy-Rn
1718078
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1718078&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Refractive Index
1.41
Flash Point(°C)
198 °C
Boil Point(°C)
188°C/20mmHg(lit.)
Melt Point(°C)
-27°C(lit.)
Molecular Weight
667.400 g/mol
XLogP3
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
9
Rotatable Bond Count
0
Exact Mass
666.169 Da
Monoisotopic Mass
666.169 Da
Topological Polar Surface Area
83.100 Ų
Heavy Atom Count
36
Formal Charge
0
Complexity
517.000
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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D2324573