Bis(hexylene glycolato)diboron

C₁₂H₂₄B₂O₄CAS 230299-21-5253.94 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₂H₂₄B₂O₄
Molar mass: 253.94 g/mol
Exact mass: 254.1861 Da
logP: 2.25Crippen estimate
Polar surface area: 36.9 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation75% of notifiers

Aggregated from 4 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

230299-21-5

SMILES

B1(OC(CC(O1)(C)C)C)B2OC(CC(O2)(C)C)C

InChIKey

UEBSWKNVDRJVHN-UHFFFAOYSA-N

InChI

InChI=1S/C12H24B2O4/c1-9-7-11(3,4)17-13(15-9)14-16-10(2)8-12(5,6)18-14/h9-10H,7-8H2,1-6H3

Weigh it out

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

Work with Bis(hexylene 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

4,4,4′,4′,6,6,6′,6′-Octamethyl-2,2′-bi-1,3,2-dioxaborinane230299-46-442 % similar Isobutylene oxide558-30-531 % similar

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

Same formula

Bis(pinacolato)diboron73183-34-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook