1-Pentenylboronic acid

C₅H₁₁BO₂CAS 104376-24-1113.95 g/mol

Open in Covalent MOL file

Alkene Boronic acid

Properties

Molecular formula: C₅H₁₁BO₂
Molar mass: 113.95 g/mol
Exact mass: 114.0852 Da
logP: 0.35Crippen estimate
Polar surface area: 40.5 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 3

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

104376-24-1

SMILES

B(C=CCCC)(O)O

InChIKey

SYKWJOZHNDPWIM-UHFFFAOYSA-N

InChI

InChI=1S/C5H11BO2/c1-2-3-4-5-6(7)8/h4-5,7-8H,2-3H2,1H3

Weigh it out

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

Work with 1-Pentenylboronic 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

B-(1E)-1-Hexenylboronic acid42599-18-874 % similar trans-Heptenylboronic acid57404-76-971 % similar E-1-Octenylboronic acid42599-16-668 % similar trans-Nonenylboronic acid57404-77-068 % similar trans-4-Octene14850-23-850 % similar cis-4-Octene7642-15-150 % similar cis-2-Hexen-1-ol928-94-944 % similar 2-Hexen-1-ol928-95-044 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Cyclopentylboronic acid63076-51-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook