2-(but-1-yn-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

• ChemBase ID: 309640
• Molecular Formular: C10H17BO2
• Molecular Mass: 180.05178
• Monoisotopic Mass: 180.13216018
• SMILES: B1(OC(C(O1)(C)C)(C)C)C#CCC
• Canonical SMILES: CCC#CB1OC(C(O1)(C)C)(C)C
• InChI: InChI=1S/C10H17BO2/c1-6-7-8-11-12-9(2,3)10(4,5)13-11/h6H2,1-5H3
• InChIKey: MNPPDEKCCSRVEX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(but-1-yn-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• IUPAC Traditional name: 2-(but-1-yn-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• Synonyms: 2-(1-butyn-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Database IDs

• MDL Number: MFCD13182124

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.4841
• LogD (pH = 7.4): 3.4841
• Log P: 3.4841
• Molar Refractivity: 47.3236 cm^3
• Polarizability: 20.691744 Å^3
• Polar Surface Area: 18.46 Å^2