bis(3-methylbutan-2-yl)borane

• ChemBase ID: 127146
• Molecular Formular: C10H23B
• Molecular Mass: 154.10062
• Monoisotopic Mass: 154.18928114
• SMILES: B(C(C(C)C)C)C(C)C(C)C
• Canonical SMILES: CC(C(C)C)BC(C(C)C)C
• InChI: InChI=1S/C10H23B/c1-7(2)9(5)11-10(6)8(3)4/h7-11H,1-6H3
• InChIKey: HXJFQNUWPUICNY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(3-methylbutan-2-yl)borane
• IUPAC Traditional name: disiamylborane
• Synonyms: Disiamylborane

Database IDs

• CAS Number: 1069-54-1
• PubChem SID: 162221468
• PubChem CID: 192733; 6337887
• Chemspider ID: 167251
• Wikipedia Title: Disiamylborane

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.6624
• LogD (pH = 7.4): 4.6624
• Log P: 4.6624
• Molar Refractivity: 47.805 cm^3
• Polarizability: 21.249512 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true