3-Methyl-1-butylboronic acid

C₅H₁₃BO₂CAS 98139-72-1115.97 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₅H₁₃BO₂
Molar mass: 115.97 g/mol
Exact mass: 116.1009 Da
logP: 0.51Crippen estimate
Polar surface area: 40.5 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 3

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

98139-72-1

SMILES

B(CCC(C)C)(O)O

InChIKey

UVMWVBMFEDQYRW-UHFFFAOYSA-N

InChI

InChI=1S/C5H13BO2/c1-5(2)3-4-6(7)8/h5,7-8H,3-4H2,1-2H3

Weigh it out

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

Names and synonyms

1 names

(3-Methylbutyl)boronic acid

Work with 3-Methyl-1-butylboronic acid

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-Methylpropylboronic acid84110-40-752 % similar 2,5-Dimethylhexane592-13-244 % similar 1-Bromo-3-methylbutane107-82-441 % similar Isoamyl alcohol123-51-341 % similar B-Propylboronic acid17745-45-841 % similar 2,7-Dimethyloctane1072-16-840 % similar Butylboronic acid4426-47-538 % similar 1-Bromo-4-methylpentane626-88-038 % similar

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

Same formula

B-Pentylboronic acid4737-50-2

Elsewhere

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