Bis(neopentyl glycolato)diboron

C₁₀H₂₀B₂O₄CAS 201733-56-4225.89 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₀H₂₀B₂O₄
Molar mass: 225.89 g/mol
Exact mass: 226.1548 Da
logP: 1.19Crippen estimate
Polar surface area: 36.9 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation76.9% of notifiers
H319 Causes serious eye irritation76.9% of notifiers
H335 May cause respiratory irritation69.2% of notifiers

Aggregated from 13 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

Weigh it out

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 (5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)benzene5123-13-744 % 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

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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