chempirical

B-(1E)-1-Hexenylboronic acid

C6H13BO2CAS 42599-18-8127.98 g/mol

Open in Covalent MOL file
BOHOH
AlkeneBoronic acid

Properties

Molecular formula
C6H13BO2
Molar mass
127.98 g/mol
Exact mass
128.1009 Da
Melting point
90–93 °C
logP
0.74Crippen estimate
Polar surface area
40.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
4
Double bonds
EE/Z, in SMILES order

Identifiers

CAS number
42599-18-8
SMILES
CCCC/C=C/B(O)O
InChIKey
GWFKSQSXNUNYAC-AATRIKPKSA-N
InChI
InChI=1S/C6H13BO2/c1-2-3-4-5-6-7(8)9/h5-6,8-9H,2-4H2,1H3/b6-5+

Weigh it out

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

Names and synonyms

9 names
  • Boronic acid, B-(1E)-1-hexenyl-
  • Boronic acid, 1-hexenyl-, (E)-
  • Boronic acid, (1E)-1-hexenyl-
  • trans-1-Hexenylboronic acid
  • (E)-1-Hexenylboronic acid
  • [(1E)-1-Hexenyl]boronic acid
  • trans-1-Hexen-1-ylboronic acid
  • (E)-1-Hexen-1-ylboronic acid
  • ((1E)-Hex-1-en-1-yl)boronic acid

Work with B-(1E)-1-Hexenylboronic 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

1-Pentenylboronic acid104376-24-174 % similar (5E)-5-Decene7433-56-955 % similar 4-Nonene2198-23-450 % similar cis-3-Octen-1-ol20125-84-248 % similar trans-2-Hepten-1-ol33467-76-448 % similar 2-Heptene592-77-848 % similar cis-2-Heptene6443-92-148 % similar (5E)-5-Decen-1-ol56578-18-846 % similar

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

Same formula

Pinacolborane25015-63-8 B-Cyclohexylboronic acid4441-56-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook