CAS 312693-51-9|(顺-2,3-双(4,4,5,5-四甲基-1,3,2-二氧杂硼烷-2-基))-2-辛烯酸甲酯|methyl 2,3-bis(tetramethyl-1,3,2-dioxaborolan-2-yl)oct-2-enoate|Methyl (Z)-oct-2-enoate-2,3-diboronic acid bis(pinacol)...

General Information

Structure

Molecular Formula

C₂₁H₃₈B₂O₆

Molecular Mass

408.14482

Exact Mass

408.28544974

Charge

InChI

InChI=1S/C21H38B2O6/c1-11-12-13-14-15(22-26-18(2,3)19(4,5)27-22)16(17(24)25-10)23-28-20(6,7)21(8,9)29-23/h11-14H2,1-10H3

InChIKey

GBZYBLPXADRNOD-UHFFFAOYSA-N

Canonic Smiles

CCCCC/C(=C(/B1OC(C(O1)(C)C)(C)C)\C(=O)OC)/B1OC(C(O1)(C)C)(C)C

Isomeric Smiles

B1(OC(C(O1)(C)C)(C)C)/C(=C(\B1OC(C(O1)(C)C)(C)C)/C(=O)OC)/CCCCC

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

5.5835

LogD (pH = 7.4)

5.5835

Log P

5.5835

Molar Refractivity

105.3461

Polarizability

45.21277

Polar Surface Area

63.22

Rotatable Bonds

Lipinski's Rule of Five

false

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

Synonyms

(顺-2,3-双(4,4,5,5-四甲基-1,3,2-二氧杂硼烷-2-基))-2-辛烯酸甲酯Methyl (Z)-oct-2-enoate-2,3-diboronic acid bis(pinacol) esterMethyl(cis-2,3-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl))-2-octenoate(Z)-辛-2-烯酸-2,3-二硼酸双(频哪醇)甲酯Methyl 4,4,5,5-tetramethyl-alpha-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexylidene]-1,3,2-dioxaborolane-2-acetate4,4,5,5-四甲基-a-[1-(4,4,5,5-四甲基-1,3,2-二氧杂硼烷-2-基)亚己基]-1,3,2-二氧杂硼烷-2-乙酸甲酯

IUPAC Traditional name

methyl 2,3-bis(tetramethyl-1,3,2-dioxaborolan-2-yl)oct-2-enoate

IUPAC name

methyl 2,3-bis(tetramethyl-1,3,2-dioxaborolan-2-yl)oct-2-enoate

Names and Identifiers

Registration numbers

PubChem SID

24874630162230976

MDL Number

MFCD03427017

CAS Number

312693-51-9