2-cyclopropyl-5,5-dimethyl-1,3,2-dioxaborinane

• ChemBase ID: 810344
• Molecular Formular: C8H15BO2
• Molecular Mass: 154.0145
• Monoisotopic Mass: 154.11651012
• SMILES: O1B(OCC(C1)(C)C)C1CC1
• Canonical SMILES: CC1(C)COB(OC1)C1CC1
• InChI: InChI=1S/C8H15BO2/c1-8(2)5-10-9(11-6-8)7-3-4-7/h7H,3-6H2,1-2H3
• InChIKey: AENYXNOSDGBNOJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-cyclopropyl-5,5-dimethyl-1,3,2-dioxaborinane
• IUPAC Traditional name: 2-cyclopropyl-5,5-dimethyl-1,3,2-dioxaborinane
• Synonyms: 2-CYCLOPROPYL-5,5-DIMETHYL-1,3,2-DIOXABORINANE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.0069
• LogD (pH = 7.4): 3.0069
• Log P: 3.0069
• Molar Refractivity: 38.4324 cm^3
• Polarizability: 17.374634 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%