2-cyclobutyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

• ChemBase ID: 247500
• Molecular Formular: C10H19BO2
• Molecular Mass: 182.06766
• Monoisotopic Mass: 182.14781025
• SMILES: B1(OC(C(O1)(C)C)(C)C)C1CCC1
• Canonical SMILES: CC1(C)OB(OC1(C)C)C1CCC1
• InChI: InChI=1S/C10H19BO2/c1-9(2)10(3,4)13-11(12-9)8-6-5-7-8/h8H,5-7H2,1-4H3
• InChIKey: CJHFLFQCUUOKEK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-cyclobutyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• IUPAC Traditional name: 2-cyclobutyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• Synonyms: 2-cyclobutyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Database IDs

• MDL Number: MFCD22392290
• PubChem SID: 164303410
• PubChem CID: 71758241

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.2258
• LogD (pH = 7.4): 3.2258
• Log P: 3.2258
• Molar Refractivity: 47.5227 cm^3
• Polarizability: 21.05984 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.594

Product Information

• Purity: 95%