chempirical

Hexylboronic Acid (contains varying amounts of Anhydride)

C6H15BO2CAS 16343-08-1129.99 g/mol

Open in Covalent MOL file
BOHOH
Boronic acid

Properties

Molecular formula
C6H15BO2
Molar mass
129.99 g/mol
Exact mass
130.1165 Da
Melting point
88–90 °C
logP
1.04Crippen estimate
Polar surface area
40.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
5

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
16343-08-1
SMILES
CCCCCCB(O)O
InChIKey
CXSYDLCMCLCOCA-UHFFFAOYSA-N
InChI
InChI=1S/C6H15BO2/c1-2-3-4-5-6-7(8)9/h8-9H,2-6H2,1H3

Weigh it out

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

Names and synonyms

6 names
  • B-Hexylboronic acid
  • Boronic acid, B-hexyl-
  • 1-Hexaneboronic acid
  • Boronic acid, hexyl-
  • Hexylboronic acid
  • NSC 518338

Work with Hexylboronic Acid (contains varying amounts of Anhydride)

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

Decylboronic acid24464-63-9100 % similar B-Octylboronic acid28741-08-4100 % similar B-Pentylboronic acid4737-50-294 % similar Butylboronic acid4426-47-579 % similar B-Propylboronic acid17745-45-860 % similar Octane111-65-950 % similar Nonane111-84-250 % similar Dodecane112-40-350 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook