Diethoxymethyloctadecylsilane - ≥95% , CAS No.67859-75-0

CAS: 67859-75-0 Cat. No.: D1358994 Molecular Weight: 386.736 EC Number: 267-423-2 PubChem CID: 105838

GRADE & PURITY ≥95%

Storage

Room temperature

Shipped In

Normal

Specifications

Specifications & Purity

≥95%

Storage

Room temperature

Shipped In

Normal

Purity

≥95%

Names and Identifiers

• Canonical Smiles: CCCCCCCCCCCCCCCCCC[Si](C)(OCC)OCC
• IUPAC Name: diethoxy-methyl-octadecylsilane
• InChIKey: DJVQMRRXRRBRIH-UHFFFAOYSA-N
• INCHI: 1S/C23H50O2Si/c1-5-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26(4,24-6-2)25-7-3/h5-23H2,1-4H3
• Isomeric SMILES: CCCCCCCCCCCCCCCCCC[Si](C)(OCC)OCC
• PubChem CID: 105838
• Molecular Weight: 386.736

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: Alkoxysilanes
• Alternative Parents: Silyl ethers Organoheterosilanes Organic metalloid salts Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alkoxysilane - Silyl ether - Organoheterosilane - Organic metalloid salt - Organic oxygen compound - Hydrocarbon derivative - Organic salt - Organooxygen compound - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as alkoxysilanes. These are organosilicon compounds with the general formula RO[Si](OR')(R'')(R''') (R,R' = organyl; R'',R''' = any atom).
• 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

• Boil Point(°C): 197°/2mm
• Molecular Weight: 386.700 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 21
• Exact Mass: 386.358 Da
• Monoisotopic Mass: 386.358 Da
• Topological Polar Surface Area: 18.500 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 265.000
• 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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