2-[(Z)-2-ethoxyethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

• ChemBase ID: 64300
• Molecular Formular: C10H19BO3
• Molecular Mass: 198.06706
• Monoisotopic Mass: 198.14272487
• SMILES: B1(OC(C(O1)(C)C)(C)C)/C=C\OCC
• Canonical SMILES: CCO/C=C\B1OC(C(O1)(C)C)(C)C
• InChI: InChI=1S/C10H19BO3/c1-6-12-8-7-11-13-9(2,3)10(4,5)14-11/h7-8H,6H2,1-5H3/b8-7-
• InChIKey: MRAYNLYCQPAZJN-FPLPWBNLSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(Z)-2-ethoxyethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• IUPAC Traditional name: 2-[(Z)-2-ethoxyethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• Synonyms: (Z)-1-Ethoxyethene-2-boronic acid pinacol ester; (Z)-2-(2-Ethoxyvinyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Database IDs

• CAS Number: 219489-07-3
• MDL Number: MFCD09702441
• PubChem SID: 162030039
• PubChem CID: 44118209

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.6406
• LogD (pH = 7.4): 2.6406
• Log P: 2.6406
• Molar Refractivity: 51.1986 cm^3
• Polarizability: 22.237833 Å^3
• Polar Surface Area: 27.69 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 97%; 98%