chempirical

1-Pentenylboronic acid

C5H11BO2CAS 104376-24-1113.95 g/mol

Open in Covalent MOL file
BOHHO
AlkeneBoronic 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 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
3

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-4-Octene14850-23-850 % similar cis-4-Octene7642-15-150 % similar cis-2-Hexen-1-ol928-94-944 % similar trans-2-Hexen-1-ol928-95-044 % similar trans-2-Hexene4050-45-743 % similar 2-Hexene592-43-843 % similar trans-3-Heptene14686-14-742 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook