chempirical

Bis[(pinacolato)boryl]methane

C13H26B2O4CAS 78782-17-9267.97 g/mol

Open in Covalent MOL file
BOOBOO
Boronic ester

Properties

Molecular formula
C13H26B2O4
Molar mass
267.97 g/mol
Exact mass
268.2017 Da
logP
2.71Crippen estimate
Polar surface area
36.9 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 21 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
78782-17-9
SMILES
B1(OC(C(O1)(C)C)(C)C)CB2OC(C(O2)(C)C)(C)C
InChIKey
MQYZGGWWHUGYDR-UHFFFAOYSA-N
InChI
InChI=1S/C13H26B2O4/c1-10(2)11(3,4)17-14(16-10)9-15-18-12(5,6)13(7,8)19-15/h9H2,1-8H3

Weigh it out

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Names and synonyms

1 names
  • 4,4,5,5-Tetramethyl-2-((tetramethyl-1,3,2-dioxaborolan-2-yl)methyl)-1,3,2-dioxaborolane

Work with Bis[(pinacolato)boryl]methane

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-(Bromomethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane166330-03-657 % similar 4,4,5,5-Tetramethyl-2-(prop-2-en-1-yl)-1,3,2-dioxaborolane72824-04-550 % similar Bis(pinacolato)diboron73183-34-350 % similar Methyl boronic acid pinacol ester94242-85-045 % similar Benzylboronic acid pinacol ester87100-28-544 % similar 2-Cyclopropyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane126689-01-843 % similar 2-Methoxy-4,4,5,5-tetramethyl-1,3,2-dioxaborolane1195-66-041 % similar 2-[(4-Fluorophenyl)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane243145-83-740 % similar

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

Elsewhere

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