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

• ChemBase ID: 245865
• Molecular Formular: C10H21BO3
• Molecular Mass: 200.08294
• Monoisotopic Mass: 200.15837493
• SMILES: B1(OC(C(O1)(C)C)(C)C)CCCOC
• Canonical SMILES: COCCCB1OC(C(O1)(C)C)(C)C
• InChI: InChI=1S/C10H21BO3/c1-9(2)10(3,4)14-11(13-9)7-6-8-12-5/h6-8H2,1-5H3
• InChIKey: PKCAZCNJOALZSI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3-methoxypropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• IUPAC Traditional name: 2-(3-methoxypropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• Synonyms: 2-(3-methoxypropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Database IDs

• PubChem SID: 164301775
• PubChem CID: 21057643

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.1664
• LogD (pH = 7.4): 2.1664
• Log P: 2.1664
• Molar Refractivity: 51.9 cm^3
• Polarizability: 22.479769 Å^3
• Polar Surface Area: 27.69 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.162

Product Information

• Purity: 95%