2-(3,4-Epoxycyclohexyl)ethyltrimethoxysilane - ≥97%(GC) , CAS No.3388-04-3

CAS: 3388-04-3 Cat. No.: E156231 Molecular Weight: 246.38 EC Number: 222-217-1

GRADE & PURITY ≥97%(GC)

Synonyms

7-Oxabicyclo[4.1.0]heptane, 3-[2-(trimethoxysilyl)ethyl]- | AI3-52751 | beta-(3,4-Epoxycyclohexyl)ethyltrimethoxy silane | CAS-3388-04-3 | 2-(3,4-epoxycyclohexyl)ethyltrimethoxy silane | 2-(3,4-Epoxycyclohexyl)ethyltrimethoxysilane | 4-(2-(Trimethoxysilyl

Storage

Room temperature,Argon charged

Shipped In

Normal

Overview

Epoxides that are more reactive than epoxy-propoxy-propyl systems

Specifications

Synonyms

7-Oxabicyclo[4.1.0]heptane, 3-[2-(trimethoxysilyl)ethyl]- | AI3-52751 | beta-(3, 4-Epoxycyclohexyl)ethyltrimethoxy silane | CAS-3388-04-3 | 2-(3, 4-epoxycyclohexyl)ethyltrimethoxy silane | 2-(3, 4-Epoxycyclohexyl)ethyltrimethoxysilane | 4-(2-(Trimethoxysilyl

Specifications & Purity

≥97%(GC)

Storage

Room temperature, Argon charged

Shipped In

Normal

Purity

≥97%(GC)

Names and Identifiers

• Canonical Smiles: CO[Si](CCC1CCC2C(C1)O2)(OC)OC
• IUPAC Name: trimethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane
• InChIKey: DQZNLOXENNXVAD-UHFFFAOYSA-N
• INCHI: 1S/C11H22O4Si/c1-12-16(13-2,14-3)7-6-9-4-5-10-11(8-9)15-10/h9-11H,4-8H2,1-3H3
• Isomeric SMILES: CO[Si](CCC1CCC2C(C1)O2)(OC)OC
• RTECS: VV4000000
• Molecular Weight: 246.38
• Reaxy-Rn: 8980119
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8980119&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: Oxepanes Silyl ethers Oxacyclic compounds Organoheterosilanes Organic metalloid salts Epoxides Dialkyl ethers Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Trialkoxysilane - Oxepane - Silyl ether - Organoheterosilane - Oxacycle - Organic metalloid salt - Organoheterocyclic compound - Ether - Oxirane - Dialkyl ether - Organic oxygen compound - Hydrocarbon derivative - Organic salt - Organooxygen compound - Aliphatic heteropolycyclic 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: 1.4490 to 1.4530
• Flash Point(°F): 285.8 ℉
• Flash Point(°C): 141°C
• Boil Point(°C): 310 °C
• Molecular Weight: 246.370 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 246.129 Da
• Monoisotopic Mass: 246.129 Da
• Topological Polar Surface Area: 40.200 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 224.000
• 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

XLogP3

References

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