chempirical

Methyl boronic acid pinacol ester

C7H15BO2CAS 94242-85-0142.00 g/mol

Open in Covalent MOL file
BOO
Boronic ester

Properties

Molecular formula
C7H15BO2
Molar mass
142.00 g/mol
Exact mass
142.1165 Da
logP
1.71Crippen estimate
Polar surface area
18.5 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Hazards

Warning
Flammable (GHS02)Irritant (GHS07)

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P317, P321, P330, P362+P364, P370+P378, P403+P235, P501

Identifiers

CAS number
94242-85-0
SMILES
B1(OC(C(O1)(C)C)(C)C)C
InChIKey
FOQJHZPURACERJ-UHFFFAOYSA-N
InChI
InChI=1S/C7H15BO2/c1-6(2)7(3,4)10-8(5)9-6/h1-5H3

Weigh it out

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

Names and synonyms

1 names
  • 2,4,4,5,5-Pentamethyl-1,3,2-dioxaborolane

Work with Methyl boronic acid pinacol ester

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

Bis(pinacolato)diboron73183-34-353 % similar Bis[(pinacolato)boryl]methane78782-17-945 % similar 2-Methoxy-4,4,5,5-tetramethyl-1,3,2-dioxaborolane1195-66-043 % similar 2-Isopropyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane76347-13-241 % similar 2-Cyclopropyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane126689-01-839 % similar 2-(Bromomethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane166330-03-639 % similar 1,3,5-Phenyltriboronic acid, pinacol ester365564-05-239 % similar 2,2'-(1,4-Phenylene)bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolane)99770-93-139 % similar

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

Same formula

trans-Heptenylboronic acid57404-76-9

Elsewhere

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