2-decyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

• ChemBase ID: 296611
• Molecular Formular: C16H33BO2
• Molecular Mass: 268.24302
• Monoisotopic Mass: 268.2573607
• SMILES: B1(OC(C(O1)(C)C)(C)C)CCCCCCCCCC
• Canonical SMILES: CCCCCCCCCCB1OC(C(O1)(C)C)(C)C
• InChI: InChI=1S/C16H33BO2/c1-6-7-8-9-10-11-12-13-14-17-18-15(2,3)16(4,5)19-17/h6-14H2,1-5H3
• InChIKey: HRMCLNRSAPIJDP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-decyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• IUPAC Traditional name: 2-decyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• Synonyms: 2-(n-Decyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; 1-Decylboronic acid pinacol ester; 1-癸硼酸频哪醇酯

Database IDs

• CAS Number: 141091-38-5
• MDL Number: MFCD12546186
• PubChem SID: 180682142
• PubChem CID: 11265643

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 5.8093
• LogD (pH = 7.4): 5.8093
• Log P: 5.8093
• Molar Refractivity: 77.4271 cm^3
• Polarizability: 32.863895 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Refractive Index: 1.4360

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 98%