chempirical

E-1-Octenylboronic acid

C8H17BO2CAS 42599-16-6156.03 g/mol

Open in Covalent MOL file
BOHHO
AlkeneBoronic acid

Properties

Molecular formula
C8H17BO2
Molar mass
156.03 g/mol
Exact mass
156.1322 Da
logP
1.52Crippen estimate
Polar surface area
40.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
6
Double bonds
EE/Z, in SMILES order

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
42599-16-6
SMILES
B(/C=C/CCCCCC)(O)O
InChIKey
RBTAJLKAPFBZDQ-BQYQJAHWSA-N
InChI
InChI=1S/C8H17BO2/c1-2-3-4-5-6-7-8-9(10)11/h7-8,10-11H,2-6H2,1H3/b8-7+

Weigh it out

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

Work with E-1-Octenylboronic 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

trans-Nonenylboronic acid57404-77-0100 % similar trans-Heptenylboronic acid57404-76-996 % similar B-(1E)-1-Hexenylboronic acid42599-18-883 % similar 1-Pentenylboronic acid104376-24-168 % similar (Z)-9-Tricosene27519-02-458 % similar (2E)-2-Nonene6434-78-252 % similar Oleyl alcohol143-28-252 % similar trans-2-Nonen-1-ol31502-14-452 % similar

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

Elsewhere

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