2-Cyclopropyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C9H17BO2CAS 126689-01-8168.04 g/mol

Open in Covalent MOL file
OBO
Boronic ester

Properties

Molecular formula
C9H17BO2
Molar mass
168.04 g/mol
Exact mass
168.1322 Da
logP
2.24Crippen estimate
Polar surface area
18.5 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Hazards

Warning
Flammable (GHS02)

Aggregated from 55 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, P501

Identifiers

CAS number
126689-01-8
SMILES
CC1(C)OB(C2CC2)OC1(C)C
InChIKey
XGBMQBPLWXTEPM-UHFFFAOYSA-N
InChI
InChI=1S/C9H17BO2/c1-8(2)9(3,4)12-10(11-8)7-5-6-7/h7H,5-6H2,1-4H3

Weigh it out

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

Names and synonyms

3 names
  • 1,3,2-Dioxaborolane, 2-cyclopropyl-4,4,5,5-tetramethyl-
  • Cyclopropylboronic acid pinacol ester
  • 2-Cyclopropylboronic acid pinacol ester

Work with 2-Cyclopropyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

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

Cyclohexylboronic acid pinacol ester87100-15-077 % similar 2-Isopropyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane76347-13-252 % similar 1,1-Dimethylethyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-piperidinecarboxylate1048970-17-749 % similar Bis[(pinacolato)boryl]methane78782-17-943 % similar Bis(pinacolato)diboron73183-34-343 % similar Methyl boronic acid pinacol ester94242-85-039 % similar 2-(Bromomethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane166330-03-638 % similar Isopropoxy 4,4,5,5-tetramethyl-1,3,2-dioxaborolane61676-62-837 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Isopropenylboronic acid pinacol ester126726-62-3 4,4,5,5-Tetramethyl-2-(prop-2-en-1-yl)-1,3,2-dioxaborolane72824-04-5

Elsewhere

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