CAS 1195-66-0|Methyl pinacolyl borate|2-methoxy-4,4,5,5-tetramethyl-1,3,2-dioxaborolane|2-methoxy-4,4,5,5-tetramethyl-1,3,2-dioxaborolane|Methoxyboronic acid, pinacol ester|2-Methoxy-4,4,5,5-tetrame...

General Information

Structure

Molecular Formula

C₇H₁₅BO₃

Molecular Mass

158.0032

Exact Mass

158.11142474

Charge

InChI

InChI=1S/C7H15BO3/c1-6(2)7(3,4)11-8(9-5)10-6/h1-5H3

InChIKey

JZZJAWSMSXCSIB-UHFFFAOYSA-N

Canonic Smiles

COB1OC(C(O1)(C)C)(C)C

Isomeric Smiles

O1C(C(C)(C)OB1OC)(C)C

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

2.4799

LogD (pH = 7.4)

2.4799

Log P

2.4799

Molar Refractivity

37.2857

Polarizability

16.963465

Polar Surface Area

27.69

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Synonyms

Methyl pinacolyl borateMethoxyboronic acid, pinacol ester2-Methoxy-4,4,5,5-tetramethyl-1,3,2-dioxaborolane2-甲氧基-4,4,5,5-四甲基-1,3,2-二杂氧戊硼烷2-Methoxy-4,4,5,5-tetramethyl-1,3,2-dioxaborolane2-Methoxy-4,4,5,5-tetramethyl-1,3,2-dioxaborolaneMethoxyboronic acid pinacol ester甲氧基硼酸频哪醇酯2-甲氧基-4,4,5,5-四甲基-1,3,2-二氧硼戊环

IUPAC Traditional name

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

IUPAC name

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

Names and Identifiers

Registration numbers

CAS Number

1195-66-0

MDL Number

MFCD03093086

Beilstein Number

2827758