2-(3-cyclopentylpropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

• ChemBase ID: 296631
• Molecular Formular: C14H27BO2
• Molecular Mass: 238.17398
• Monoisotopic Mass: 238.2104105
• SMILES: B1(OC(C(O1)(C)C)(C)C)CCCC1CCCC1
• Canonical SMILES: CC1(C)OB(OC1(C)C)CCCC1CCCC1
• InChI: InChI=1S/C14H27BO2/c1-13(2)14(3,4)17-15(16-13)11-7-10-12-8-5-6-9-12/h12H,5-11H2,1-4H3
• InChIKey: ADJQPAJSVVAGBR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3-cyclopentylpropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• IUPAC Traditional name: 2-(3-cyclopentylpropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• Synonyms: 2-(3-Cyclopentylpropyl)-4,4,5,5-tetramethyl[1,3,2]dioxaborolane; 3-Cyclopentylpropylboronic acid pinacol ester; 3-环戊基丙基硼酸频哪醇酯

Database IDs

• MDL Number: MFCD12546194
• PubChem SID: 180682162
• PubChem CID: 73995118

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.4469
• LogD (pH = 7.4): 4.4469
• Log P: 4.4469
• Molar Refractivity: 66.3705 cm^3
• Polarizability: 28.436707 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 114°C/5mm

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 97%