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Bis(neopentyl glycolato)diboron

C10H20B2O4CAS 201733-56-4225.89 g/mol

Open in Covalent MOL file
OBBOOO

Properties

Molecular formula
C10H20B2O4
Molar mass
225.89 g/mol
Exact mass
226.1548 Da
logP
1.19Crippen estimate
Polar surface area
36.9 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
1

Identifiers

CAS number
201733-56-4
SMILES
CC1(C)COB(B2OCC(C)(C)CO2)OC1
InChIKey
MDNDJMCSXOXBFZ-UHFFFAOYSA-N
InChI
InChI=1S/C10H20B2O4/c1-9(2)5-13-11(14-6-9)12-15-7-10(3,4)8-16-12/h5-8H2,1-4H3

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

Names and synonyms

6 names
  • 2,2′-Bi-1,3,2-dioxaborinane, 5,5,5′,5′-tetramethyl-
  • 5,5,5′,5′-Tetramethyl-2,2′-bi-1,3,2-dioxaborinane
  • Bis(neopentanediolato)diboron
  • 5,5,5′,5′-Tetramethyl-2,2′-bis(1,3,2-dioxaborinane)
  • 2-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)-5,5-dimethyl-1,3,2-dioxaborinane
  • B2(Nep)2

Work with Bis(neopentyl glycolato)diboron

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

2,2′-(1,4-Phenylene)bis[5,5-dimethyl-1,3,2-dioxaborinane]5565-36-650 % similar 2,2-Dimethyltrimethylene carbonate3592-12-938 % similar 2-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)benzonitrile214360-47-136 % similar 3-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)pyridine845885-86-136 % similar Neopentyl glycol diglycidyl ether17557-23-235 % similar 4,4,4′,4′,6,6,6′,6′-Octamethyl-2,2′-bi-1,3,2-dioxaborinane230299-46-430 % similar Neopentyl glycol diacrylate2223-82-730 % similar 3,3-Dimethylpentane562-49-230 % similar

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

Elsewhere

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