trans-Nonenylboronic acid

C₉H₁₉BO₂CAS 57404-77-0170.06 g/mol

Open in Covalent MOL file

Alkene Boronic acid

Properties

Molecular formula: C₉H₁₉BO₂
Molar mass: 170.06 g/mol
Exact mass: 170.1478 Da
logP: 1.92Crippen estimate
Polar surface area: 40.5 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 7
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

57404-77-0

SMILES

B(/C=C/CCCCCCC)(O)O

InChIKey

QQYXRMSFSNQEBV-CMDGGOBGSA-N

InChI

InChI=1S/C9H19BO2/c1-2-3-4-5-6-7-8-9-10(11)12/h8-9,11-12H,2-7H2,1H3/b9-8+

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Work with trans-Nonenylboronic 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

E-1-Octenylboronic acid42599-16-6100 % 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

Same formula

2-Isopropyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane76347-13-2

Elsewhere

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