CAS 307531-74-4|1-cis-1,2-Bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)heptene|4,4,5,5-tetramethyl-2-[1-(tetramethyl-1,3,2-dioxaborolan-2-yl)hept-1-en-2-yl]-1,3,2-dioxaborolane|4,4,5,5-tetramethy...

General Information

Structure

Molecular Formula

C₁₉H₃₆B₂O₄

Molecular Mass

350.10874

Exact Mass

350.27997043

Charge

InChI

InChI=1S/C19H36B2O4/c1-10-11-12-13-15(21-24-18(6,7)19(8,9)25-21)14-20-22-16(2,3)17(4,5)23-20/h14H,10-13H2,1-9H3

InChIKey

KBMWLQPDFRGVTD-UHFFFAOYSA-N

Canonic Smiles

CCCCC/C(=C/B1OC(C(O1)(C)C)(C)C)/B1OC(C(O1)(C)C)(C)C

Isomeric Smiles

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

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

5.8589

LogD (pH = 7.4)

5.8589

Log P

5.8589

Molar Refractivity

93.3651

Polarizability

40.769005

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)heptene1-[顺-1,2-双(4,4,5,5-四甲基-1,3,2-二氧杂环硼戊烷-2-基)]庚烯2,2′-[(1Z)-1-Pentyl-1,2-ethenediyl]bis[4,4,5,5-tetramethyl-1,3,2-dioxaborolane]1-[cis-1,2-Bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)] heptene1-庚烯-1,2-二硼酸双(2,3-二甲基-2,3-丁二醇)酯(E)-1-Heptene-1,2-diboronic acid bis(pinacol) ester1-cis-1,2-Bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)heptene(E)-1-庚烯-1,2-二硼酸双(频那醇)酯

IUPAC Traditional name

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

IUPAC name

Names and Identifiers

Registration numbers

Beilstein Number

MDL Number

CAS Number

PubChem SID

PubChem CID