2-({3,3-dimethylbicyclo[2.2.1]heptan-2-yl}methyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

• ChemBase ID: 296429
• Molecular Formular: C16H29BO2
• Molecular Mass: 264.21126
• Monoisotopic Mass: 264.22606057
• SMILES: B1(OC(C(O1)(C)C)(C)C)CC1C2CCC(C2)C1(C)C
• Canonical SMILES: CC1(C)C2CCC(C1CB1OC(C(O1)(C)C)(C)C)C2
• InChI: InChI=1S/C16H29BO2/c1-14(2)12-8-7-11(9-12)13(14)10-17-18-15(3,4)16(5,6)19-17/h11-13H,7-10H2,1-6H3
• InChIKey: GUIVFDQUMQHBCG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-({3,3-dimethylbicyclo[2.2.1]heptan-2-yl}methyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• IUPAC Traditional name: 2-({3,3-dimethylbicyclo[2.2.1]heptan-2-yl}methyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• Synonyms: 2-(3,3-Dimethylbicyclo[2.2.1]hept-2-ylmethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; 3,3-Dimethylbicyclo[2.2.1]hept-2-ylmethylboronic acid pinacol ester, mixture of isomers; 3,3-二甲基二环[2.2.1]七-2-甲基硼酸频哪酯, 异构体混合物

Database IDs

• MDL Number: MFCD09953482
• PubChem SID: 180681960
• PubChem CID: 53429040

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.575
• LogD (pH = 7.4): 4.575
• Log P: 4.575
• Molar Refractivity: 73.4872 cm^3
• Polarizability: 31.39147 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 90+%