2,2′-[1,3-Propanediylbis(oxy)]bis[1,3,2-dioxaborinane]

C₉H₁₈B₂O₆CAS 20905-35-5243.86 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₉H₁₈B₂O₆
Molar mass: 243.86 g/mol
Exact mass: 244.1289 Da
logP: 0.25Crippen estimate
Polar surface area: 55.4 Å²
H-bond donors / acceptors: 0 / 6
Rotatable bonds: 6

Identifiers

CAS number

20905-35-5

SMILES

C1COB(OCCCOB2OCCCO2)OC1

InChIKey

FZNHHPNJQSIEPT-UHFFFAOYSA-N

InChI

InChI=1S/C9H18B2O6/c1-4-12-10(13-5-1)16-8-3-9-17-11-14-6-2-7-15-11/h1-9H2

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

Names and synonyms

3 names

1,3,2-Dioxaborinane, 2,2′-[1,3-propanediylbis(oxy)]bis-
1,3-Propanediol, cyclic ester with boric acid (H3BO3), trimethylene ester
2-[3-(1,3,2-Dioxaborinan-2-yloxy)propoxy]-1,3,2-dioxaborinane

Work with 2,2′-[1,3-Propanediylbis(oxy)]bis[1,3,2-dioxaborinane]

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

Triethanolamine borate283-56-747 % similar Tripropyl borate688-71-147 % similar Oxetane503-30-036 % similar Triethyl borate150-46-935 % similar Boric acid (H3bo3) tri-2-propen-1-yl ester1693-71-630 % similar Tris(2,2,2-trifluoroethyl) borate659-18-730 % similar

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

Elsewhere

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