(2-{1-[(tert-butyldimethylsilyl)oxy]cyclopropyl}ethynyl)trimethylsilane

• ChemBase ID: 163390
• Molecular Formular: C14H28OSi2
• Molecular Mass: 268.54252
• Monoisotopic Mass: 268.16786858
• SMILES: C1(CC1)(C#C[Si](C)(C)C)O[Si](C)(C(C)(C)C)C
• Canonical SMILES: C[Si](C#CC1(CC1)O[Si](C(C)(C)C)(C)C)(C)C
• InChI: InChI=1S/C14H28OSi2/c1-13(2,3)17(7,8)15-14(9-10-14)11-12-16(4,5)6/h9-10H2,1-8H3
• InChIKey: BGQJCKDBRXHAPH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-{1-[(tert-butyldimethylsilyl)oxy]cyclopropyl}ethynyl)trimethylsilane
• IUPAC Traditional name: (2-{1-[(tert-butyldimethylsilyl)oxy]cyclopropyl}ethynyl)trimethylsilane
• Synonyms: 1-[[(1,1-Dimethylethyl)dimethylsilyl]oxy]-1-(2’-trimethylsilyl)ethynylcyclopropane; 1-(tert-Butyldimethylsilyloxy)-1-(2'-trimethylsilyl)ethynylcyclopropane

Database IDs

• CAS Number: 1246816-70-5
• PubChem SID: 162257525
• PubChem CID: 71314420

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.5215
• LogD (pH = 7.4): 4.5215
• Log P: 4.5215
• Molar Refractivity: 67.8547 cm^3
• Polarizability: 31.247654 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Dichloromethane; Methanol