1,3,2-Dioxaborolane, 2,2′-[(1Z)-1-pentyl-1,2-ethenediyl]bis[4,4,5,5-tetramethyl-

C₁₉H₃₆B₂O₄CAS 307531-74-4350.11 g/mol

Open in Covalent MOL file

Alkene Boronic ester

Properties

Molecular formula: C₁₉H₃₆B₂O₄
Molar mass: 350.11 g/mol
Exact mass: 350.2800 Da
logP: 4.76Crippen estimate
Polar surface area: 36.9 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 6

Identifiers

CAS number

307531-74-4

SMILES

CCCCC/C(=CB1OC(C)(C)C(C)(C)O1)B1OC(C)(C)C(C)(C)O1

InChIKey

KBMWLQPDFRGVTD-CCEZHUSRSA-N

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/b15-14+

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with 1,3,2-Dioxaborolane, 2,2′-[(1Z)-1-pentyl-1,2-ethenediyl]bis[4,4,5,5-tetramethyl-

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-(4,4-Difluorocyclohex-1-en-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane1227068-84-939 % similar tert-Butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydropyridine-1(2H)-carboxylate1121057-77-938 % similar 4-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)cyclohex-3-ene-1-carboxylic acid ethyl ester1049004-32-135 % similar (E)-1-Ethoxyethene-2-ylboronic acid pinacol ester1201905-61-434 % similar 1-Benzyl-1,2,3,6-tetrahydropyridine-4-boronic acid pinacol ester1048976-83-533 % similar Isopropenylboronic acid pinacol ester126726-62-331 % similar Dilauroyl peroxide105-74-830 % similar Decanoic anhydride2082-76-030 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook