[(1,1-Dimethyl-2-propynyl)oxy]trimethylsilane - ≥97% , CAS No.17869-77-1

CAS: 17869-77-1 Cat. No.: D332421 Molecular Weight: 156.3 EC Number: 241-823-7

GRADE & PURITY ≥97%

Synonyms

MFCD00053867 | SCHEMBL313116 | trimethyl(2-methylbut-3-yn-2-yloxy)silane | MFCD00243991 | AKOS025294748 | EINECS 241-823-7 | 1H-Indole-2,3-dione,7-bromo-5-methyl- | 3-Methyl-3-Trimethylsilyloxy-1-Butyne, 97% | ((1,1-Dimethyl-2-propynyl)oxy)trimethylsilane

Storage

Store at 2-8°C

Shipped In

Wet ice

Overview

[(1,1-Dimethyl-2-propynyl)oxy]trimethylsilane is also known as trimethyl[(2-methyl-3-butyn-2-yl)oxy]silane. Its enthalpy of vaporization at boiling point has been reported.

Specifications

Synonyms

MFCD00053867 | SCHEMBL313116 | trimethyl(2-methylbut-3-yn-2-yloxy)silane | MFCD00243991 | AKOS025294748 | EINECS 241-823-7 | 1H-Indole-2, 3-dione, 7-bromo-5-methyl- | 3-Methyl-3-Trimethylsilyloxy-1-Butyne, 97% | ((1, 1-Dimethyl-2-propynyl)oxy)trimethylsilane

Specifications & Purity

≥97%

Storage

Store at 2-8°C

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: CC(C)(C#C)O[Si](C)(C)C
• IUPAC Name: trimethyl(2-methylbut-3-yn-2-yloxy)silane
• InChIKey: JNRUXZIXAXHXTN-UHFFFAOYSA-N
• INCHI: 1S/C8H16OSi/c1-7-8(2,3)9-10(4,5)6/h1H,2-6H3
• Isomeric SMILES: CC(C)(C#C)O[Si](C)(C)C
• Molecular Weight: 156.3
• Reaxy-Rn: 1750040
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1750040&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Alpha,beta-unsaturated carbonyl compounds
          • Level6 Alpha,beta-unsaturated ketones
            • Level7 Ynones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Alpha,beta-unsaturated carbonyl compounds - Alpha,beta-unsaturated ketones
• Direct Parent: Ynones
• Alternative Parents: Trialkylheterosilanes Silyl ethers Organic metalloid salts Acetylides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Ynone - Trialkylheterosilane - Silyl ether - Acetylide - Organoheterosilane - Organic metalloid salt - Hydrocarbon derivative - Organic salt - Organosilicon compound - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as ynones. These are organic compounds containing the ynone functional group, an alpha,beta unsaturated ketone group with the general structure RC#C-C(=O)R' (R' not H).
• 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

• Refractive Index: 1.4052
• Boil Point(°C): 115-116 °C (lit.)
• Molecular Weight: 156.300 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 156.097 Da
• Monoisotopic Mass: 156.097 Da
• Topological Polar Surface Area: 9.200 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 156.000
• 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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