CAS 69190-62-1|2-butyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane|Butane-1-boronic acid, pinacol ester|2-butyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane|2-Butyl-4,4,5,5-tetramethyl[1,3,2]dioxaborolane|正...

General Information

Structure

Molecular Formula

C₁₀H₂₁BO₂

Molecular Mass

184.08354

Exact Mass

184.16346031

Charge

InChI

InChI=1S/C10H21BO2/c1-6-7-8-11-12-9(2,3)10(4,5)13-11/h6-8H2,1-5H3

InChIKey

ZHBANXSNVFDSMK-UHFFFAOYSA-N

Canonic Smiles

CCCCB1OC(C(O1)(C)C)(C)C

Isomeric Smiles

O1B(OC(C1(C)C)(C)C)CCCC

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

3.4315

LogD (pH = 7.4)

3.4315

Log P

3.4315

Molar Refractivity

49.8211

Polarizability

21.792545

Polar Surface Area

18.46

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC name

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

Synonyms

2-Butyl-4,4,5,5-tetramethyl[1,3,2]dioxaborolaneButane-1-boronic acid, pinacol ester正丁基硼酸频哪醇酯2-丁基-4,4,5,5-四甲基-1,3,2-二氧杂硼烷n-Butylboronic acid pinacol ester2-Butyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane2-Butyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

IUPAC Traditional name

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

Names and Identifiers

Registration numbers

MDL Number

CAS Number

PubChem SID

PubChem CID