CAS 307531-75-5|4,4,5,5-tetramethyl-2-[2-(tetramethyl-1,3,2-dioxaborolan-2-yl)pent-1-en-1-yl]-1,3,2-dioxaborolane|1-cis-1,2-Bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentene|4,4,5,5-tetramethy...

General Information

Structure

Molecular Formula

C₁₇H₃₂B₂O₄

Molecular Mass

322.05558

Exact Mass

322.2486703

Charge

InChI

InChI=1S/C17H32B2O4/c1-10-11-13(19-22-16(6,7)17(8,9)23-19)12-18-20-14(2,3)15(4,5)21-18/h12H,10-11H2,1-9H3

InChIKey

MXQDNQSRLNMUOP-UHFFFAOYSA-N

Canonic Smiles

CCC/C(=C/B1OC(C(O1)(C)C)(C)C)/B1OC(C(O1)(C)C)(C)C

Isomeric Smiles

B1(/C(=C\B2OC(C)(C)C(O2)(C)C)/CCC)OC(C)(C)C(O1)(C)C

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

5.0663

LogD (pH = 7.4)

5.0663

Log P

5.0663

Molar Refractivity

84.1631

Polarizability

37.08169

Polar Surface Area

36.92

Rotatable Bonds

Lipinski's Rule of Five

false

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

Synonyms

1-cis-1,2-Bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentene(E)-1-Pentene-1,2-diboronic acid bis(pinacol) ester(E)-1-戊烯-1,2-二硼酸双(频那醇)酯1-cis-1,2-Bis(4,4,5,5-tetramethyl-1,3,2-dioxoboralan-2-yl)pentene

IUPAC Traditional name

4,4,5,5-tetramethyl-2-[2-(tetramethyl-1,3,2-dioxaborolan-2-yl)pent-1-en-1-yl]-1,3,2-dioxaborolane 4,4,5,5-tetramethyl-2-[(1E)-2-(tetramethyl-1,3,2-dioxaborolan-2-yl)pent-1-en-1-yl]-1,3,2-dioxaborolane

IUPAC name

Names and Identifiers

Registration numbers

MDL Number

MFCD03453052MFCD03093909

PubChem CID

5708400

PubChem SID

162039752

CAS Number

307531-75-5

Registration numbers