hexadecamethylheptasiloxane Basic information - ≥95% , CAS No.541-01-5

CAS: 541-01-5 Cat. No.: H193836 Formula: C₁₆H₄₈O₆Si₇ Molecular Weight: 533.15 EC Number: 208-763-3

GRADE & PURITY ≥95%

Synonyms

Hexadecamethyl heptasiloxane** CUSTOM SYNTHESIS PLEASE ASK ** | 1,1,1,3,3,5,5,7,7,9,9,11,11,13,13,13-Hexadecamethylheptasiloxane # | DS-19609 | bis[[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]oxy]-dimethylsilane | HSDB 8420 | Heptasiloxane, hexa

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

Hexadecamethyl heptasiloxane** CUSTOM SYNTHESIS PLEASE ASK ** | 1,1,1,3,3,5,5,7,7,9,9,11,11,13,13,13-Hexadecamethylheptasiloxane # | DS-19609 | bis[[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]oxy]-dimethylsilane | HSDB 8420 | Heptasiloxane, hexa

Specifications & Purity

≥95%

Storage

Room temperature

Shipped In

Normal

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 504752027
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504752027
• Canonical Smiles: C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C
• IUPAC Name: bis[[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]oxy]-dimethylsilane
• InChIKey: NFVSFLUJRHRSJG-UHFFFAOYSA-N
• INCHI: 1S/C16H48O6Si7/c1-23(2,3)17-25(7,8)19-27(11,12)21-29(15,16)22-28(13,14)20-26(9,10)18-24(4,5)6/h1-16H3
• Isomeric SMILES: C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C
• Molecular Weight: 533.15
• Reaxy-Rn: 1807486
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1807486&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organometallic compounds
    • Class Organometalloid compounds
      • Subclass Organosilicon compounds

• Kingdom: Organic compounds
• Superclass: Organometallic compounds
• Class: Organometalloid compounds
• Subclass: Organosilicon compounds
• Intermediate Tree Nodes: Not available
• Direct Parent: Siloxanes
• Alternative Parents: Trialkylheterosilanes Organic metalloid salts Organic oxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Siloxane - Trialkylheterosilane - Organoheterosilane - Organic metalloid salt - Organic oxygen compound - Hydrocarbon derivative - Organic salt - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as siloxanes. These are saturated silicon-oxygen hydrides with unbranched or branched chains of alternating silicon and oxygen atoms (each silicon atom is separated from its nearest silicon neighbours by single oxygen atoms). The general structure of unbranched siloxanes is H3Si[OSiH2]nOSiH3. H3Si[OSiH2]nOSiH[OSiH2OSiH3]2 is an example of a branched siloxane. By extension hydrocarbyl derivatives are commonly included.
• 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: 533.100 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 12
• Exact Mass: 532.184 Da
• Monoisotopic Mass: 532.184 Da
• Topological Polar Surface Area: 55.400 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 493.000
• 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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