1-(((tert-Butyldiphenylsilyl)oxy)methyl)cyclopropanol - ≥95% , CAS No.441784-82-3

CAS: 441784-82-3 Cat. No.: O733195 Molecular Weight: 326.52 PubChem CID: 52987805

GRADE & PURITY ≥95%

Storage

Room temperature

Specifications

Specifications & Purity

≥95%

Storage

Room temperature

Purity

≥95%

Names and Identifiers

• Canonical Smiles: CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)OCC3(CC3)O
• IUPAC Name: 1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropan-1-ol
• InChIKey: FYCFHPVTNLZNLO-UHFFFAOYSA-N
• INCHI: 1S/C20H26O2Si/c1-19(2,3)23(17-10-6-4-7-11-17,18-12-8-5-9-13-18)22-16-20(21)14-15-20/h4-13,21H,14-16H2,1-3H3
• Isomeric SMILES: CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)OCC3(CC3)O
• PubChem CID: 52987805
• Molecular Weight: 326.52

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: Alkylarylsilanes
• Alternative Parents: Benzene and substituted derivatives Tertiary alcohols Silyl ethers Cyclic alcohols and derivatives Organoheterosilanes Organic metalloid salts Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alkylarylsilane - Benzenoid - Monocyclic benzene moiety - Tertiary alcohol - Silyl ether - Cyclopropanol - Organoheterosilane - Organic metalloid salt - Organic oxygen compound - Hydrocarbon derivative - Organic salt - Organooxygen compound - Alcohol - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as alkylarylsilanes. These are organosilicon compounds with the general formula R[Si]R' (R = alkyl, R' = aryl).
• 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: 326.500 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 326.17 Da
• Monoisotopic Mass: 326.17 Da
• Topological Polar Surface Area: 29.500 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 367.000
• 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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