tert-butyl[1-ethynyl(2H4)cyclopropoxy]dimethylsilane

• ChemBase ID: 163280
• Molecular Formular: C11H20OSi
• Molecular Mass: 196.3614
• Monoisotopic Mass: 196.12834179
• SMILES: C1(CC1)(C#C)O[Si](C)(C(C)(C)C)C
• Canonical SMILES: C#CC1(CC1)O[Si](C(C)(C)C)(C)C
• InChI: InChI=1S/C11H20OSi/c1-7-11(8-9-11)12-13(5,6)10(2,3)4/h1H,8-9H2,2-6H3
• InChIKey: QUZAQDCZJSFOGQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl[1-ethynyl(^2H₄)cyclopropoxy]dimethylsilane
• IUPAC Traditional name: tert-butyl[1-ethynyl(^2H₄)cyclopropoxy]dimethylsilane
• Synonyms: 1-[[(1,1-Dimethylethyl)dimethylsilyl]oxy]-1-ethynyl-cyclopropane-d4; (1,1-Dimethylethyl)[(1-ethynylcyclopropyl)oxy]dimethyl-silane-d4; 1-(tert-Butyldimethylsilyloxy)-1-ethynyl-cyclopropane-d4

Database IDs

• PubChem SID: 162257415
• PubChem CID: 71314366

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.7039
• LogD (pH = 7.4): 2.7039
• Log P: 2.7039
• Molar Refractivity: 52.7904 cm^3
• Polarizability: 22.788813 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Dichloromethane; Ethyl Acetate; Methanol