3-Methoxypropyl Trimethoxysilane - ≥95% , CAS No.33580-59-5

CAS: 33580-59-5 Cat. No.: M693964 Molecular Weight: 194.30 EC Number: 608-893-4 PubChem CID: 36553

GRADE & PURITY ≥95%

Storage

Room temperature

Specifications

Specifications & Purity

≥95%

Storage

Room temperature

Purity

≥95%

Names and Identifiers

• Canonical Smiles: COCCC[Si](OC)(OC)OC
• IUPAC Name: trimethoxy(3-methoxypropyl)silane
• InChIKey: JPMBLOQPQSYOMC-UHFFFAOYSA-N
• INCHI: 1S/C7H18O4Si/c1-8-6-5-7-12(9-2,10-3)11-4/h5-7H2,1-4H3
• Isomeric SMILES: COCCC[Si](OC)(OC)OC
• PubChem CID: 36553
• Molecular Weight: 194.30

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organometallic compounds
    • Class Organometalloid compounds
      • Subclass Organosilicon compounds
        • Level5 Alkoxysilanes
          • Level6 Trialkoxysilanes

• Kingdom: Organic compounds
• Superclass: Organometallic compounds
• Class: Organometalloid compounds
• Subclass: Organosilicon compounds
• Intermediate Tree Nodes: Alkoxysilanes
• Direct Parent: Trialkoxysilanes
• Alternative Parents: Silyl ethers Organoheterosilanes Organic metalloid salts Dialkyl ethers Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Trialkoxysilane - Silyl ether - Organoheterosilane - Organic metalloid salt - Ether - Dialkyl ether - Organic oxygen compound - Hydrocarbon derivative - Organic salt - Organooxygen compound - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as trialkoxysilanes. These are organosilicon compounds with the general formula RO[Si](R')(OR'')OR''' (R-R''' = aliphatic organyl group).
• 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: 194.300 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 194.097 Da
• Monoisotopic Mass: 194.097 Da
• Topological Polar Surface Area: 36.900 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 97.300
• 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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