bis({2,6,6-trimethylbicyclo[3.1.1]heptan-3-yl})borane

• ChemBase ID: 127052
• Molecular Formular: C20H35B
• Molecular Mass: 286.3029
• Monoisotopic Mass: 286.28318152
• SMILES: B(C1CC2CC(C1C)C2(C)C)C1CC2CC(C1C)C2(C)C
• Canonical SMILES: CC1C(BC2CC3CC(C2C)C3(C)C)CC2CC1C2(C)C
• InChI: InChI=1S/C20H35B/c1-11-15-7-13(19(15,3)4)9-17(11)21-18-10-14-8-16(12(18)2)20(14,5)6/h11-18,21H,7-10H2,1-6H3
• InChIKey: KBGJOMVTAXYPAG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bis({2,6,6-trimethylbicyclo[3.1.1]heptan-3-yl})borane
• IUPAC Traditional name: diisopinocampheylborane
• Synonyms: (+)-Di-3-pinanylborane; Diisopinocampheylborane; Ipc2BH; Diisopinocampheylborane

Database IDs

• CAS Number: 21947-87-5
• PubChem SID: 162221375
• PubChem CID: 12482041
• Chemspider ID: 10618744
• Wikipedia Title: Diisopinocampheylborane

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 6.2884
• LogD (pH = 7.4): 6.2884
• Log P: 6.2884
• Molar Refractivity: 86.04 cm^3
• Polarizability: 36.728764 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Apperance: Colorless solid