[Bicyclo[2.2.1]hept-5-en-2-yl]triethoxysilane (mixture of isomers) - ≥97%(GC) , CAS No.18401-43-9

CAS: 18401-43-9 Cat. No.: B152649 Molecular Weight: 256.42 Beilstein Registry Number: 16(4)1555 EC Number: 242-278-8

GRADE & PURITY ≥97%(GC)

Synonyms

DTXSID60885032 | MFCD00167591 | Bicyclo[2.2.1]hept-5-en-2-yl(triethoxy)silane # | SCHEMBL122625 | Silane,bicyclo[2.2.1]hept-5-en-2-yltriethoxy- | HHKDWDAAEFGBAC-UHFFFAOYSA-N | FT-0619691 | 5-(Triethoxysilyl)-2-norbornene | 5-(triethoxysilyl)norbornene | 5

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

DTXSID60885032 | MFCD00167591 | Bicyclo[2.2.1]hept-5-en-2-yl(triethoxy)silane # | SCHEMBL122625 | Silane, bicyclo[2.2.1]hept-5-en-2-yltriethoxy- | HHKDWDAAEFGBAC-UHFFFAOYSA-N | FT-0619691 | 5-(Triethoxysilyl)-2-norbornene | 5-(triethoxysilyl)norbornene | 5

Specifications & Purity

≥97%(GC)

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥97%(GC)

Names and Identifiers

• Pubchem Sid: 488186365
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488186365
• Canonical Smiles: CCO[Si](C1CC2CC1C=C2)(OCC)OCC
• IUPAC Name: 2-bicyclo[2.2.1]hept-5-enyl(triethoxy)silane
• InChIKey: HHKDWDAAEFGBAC-UHFFFAOYSA-N
• INCHI: 1S/C13H24O3Si/c1-4-14-17(15-5-2,16-6-3)13-10-11-7-8-12(13)9-11/h7-8,11-13H,4-6,9-10H2,1-3H3
• Isomeric SMILES: CCO[Si](C1CC2CC1C=C2)(OCC)OCC
• Molecular Weight: 256.42
• Beilstein: 16(4)1555
• Reaxy-Rn: 3294009
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3294009&ln=

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 Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic homopolycyclic compounds
• Substituents: Trialkoxysilane - Silyl ether - Organoheterosilane - Organic metalloid salt - Organic oxygen compound - Hydrocarbon derivative - Organic salt - Organooxygen compound - Aliphatic homopolycyclic 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

• Sensitivity: Moisture sensitive.
• Refractive Index: 1.45
• Flash Point(°C): 98 °C
• Boil Point(°C): 104 °C/7 mmHg
• Molecular Weight: 256.410 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 256.149 Da
• Monoisotopic Mass: 256.149 Da
• Topological Polar Surface Area: 27.700 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 263.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 3
• 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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