2-[2-(1,3-dioxolan-2-yl)ethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

• ChemBase ID: 291128
• Molecular Formular: C11H21BO4
• Molecular Mass: 228.09304
• Monoisotopic Mass: 228.15328955
• SMILES: CC1(C)C(C)(C)OB(CCC2OCCO2)O1
• Canonical SMILES: CC1(C)OB(OC1(C)C)CCC1OCCO1
• InChI: InChI=1S/C11H21BO4/c1-10(2)11(3,4)16-12(15-10)6-5-9-13-7-8-14-9/h9H,5-8H2,1-4H3
• InChIKey: DNBRLKJRBDIKOO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[2-(1,3-dioxolan-2-yl)ethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• IUPAC Traditional name: 2-[2-(1,3-dioxolan-2-yl)ethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• Synonyms: 2-(1,3-Dioxolan-2-yl)ethylboronic acid pinacol ester; 2-(2-(1,3-Dioxolan-2-yl)ethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; 2-(1,3-二氧戊环-2-基)-1-乙基硼酸频哪醇酯

Database IDs

• CAS Number: 1073354-07-0
• MDL Number: MFCD03788722
• PubChem SID: 180676659
• PubChem CID: 46739008

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.9618
• LogD (pH = 7.4): 1.9618
• Log P: 1.9618
• Molar Refractivity: 55.8225 cm^3
• Polarizability: 24.302105 Å^3
• Polar Surface Area: 36.92 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 100°C/1.5mm

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 95+%; 97%