1,2,3,4,5,6-Hexakis[2-(trimethylsilyl)ethynyl]benzene - ≥97% , CAS No.100516-62-9

CAS: 100516-62-9 Cat. No.: H586104 Molecular Weight: 655.33

GRADE & PURITY ≥97%

Synonyms

Hexakis[(trimethylsilyl)ethynyl]benzene | hexakis[(trimethylsilyl)ethynyl]benzene | hexakis-[(trimethylsilyl)ethynyl]benzene | 1,2,3,4,5,6-Hexakis((trimethylsilyl)ethynyl)benzene

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

Hexakis[(trimethylsilyl)ethynyl]benzene | hexakis[(trimethylsilyl)ethynyl]benzene | hexakis-[(trimethylsilyl)ethynyl]benzene | 1, 2, 3, 4, 5, 6-Hexakis((trimethylsilyl)ethynyl)benzene

Specifications & Purity

≥97%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

• Canonical Smiles: C[Si](C)(C)C#CC1=C(C(=C(C(=C1C#C[Si](C)(C)C)C#C[Si](C)(C)C)C#C[Si](C)(C)C)C#C[Si](C)(C)C)C#C[Si](C)(C)C
• IUPAC Name: trimethyl-[2-[2,3,4,5,6-pentakis(2-trimethylsilylethynyl)phenyl]ethynyl]silane
• InChIKey: STTDQWBKXQKNIK-UHFFFAOYSA-N
• INCHI: 1S/C36H54Si6/c1-37(2,3)25-19-31-32(20-26-38(4,5)6)34(22-28-40(10,11)12)36(24-30-42(16,17)18)35(23-29-41(13,14)15)33(31)21-27-39(7,8)9/h1-18H3
• Isomeric SMILES: C[Si](C)(C)C#CC1=C(C(=C(C(=C1C#C[Si](C)(C)C)C#C[Si](C)(C)C)C#C[Si](C)(C)C)C#C[Si](C)(C)C)C#C[Si](C)(C)C
• Molecular Weight: 655.33
• Reaxy-Rn: 5320840
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5320840&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzene and substituted derivatives
• Alternative Parents: Trialkylsilanes Organic metalloid salts Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Monocyclic benzene moiety - Trialkylsilane - Organic metalloid salt - Hydrocarbon derivative - Organosilicon compound - Alkylsilane - Organic metalloid moeity - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
• 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

Chemical and Physical Properties

• Molecular Weight: 655.300 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 12
• Exact Mass: 654.284 Da
• Monoisotopic Mass: 654.284 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 42
• Formal Charge: 0
• Complexity: 1110.000
• 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

XLogP3

References

1. Xiaoyan Wang, Hao Zheng, Huiling Chen, Bin Qiu, Yunliang Liu, Qing Ye.  (2025)  Gold Nanoparticles/Graphdiyne as Sensing Substrate Coupled with UiO-66/ferrocene as Signaling-Amplifier for Sandwich-Type Electrochemical Immunosensing of Interleukin-6.  JOURNAL OF THE ELECTROCHEMICAL SOCIETY,  172  (3): (036503).  [PMID:] [10.1149/1945-7111/adb51e]

2. Chen Fei, Wang Xiang, Yan Lei, Lin Zhixiong, Zheng Weijun, Wu Dianming, Qiu Bin, Fang Yifan, Liu Mingkun.  (2025)  Gold-graphdiyne linked [Ru(NH3)6]3+-UiO-66-NH2 with peptide for sensitive electrochemical detection of matrix metalloproteinase-7.  MICROCHIMICA ACTA,  192  (7): (1-10).  [PMID:40533603] [10.1007/s00604-025-07212-y]