trans-Heptenylboronic acid

C₇H₁₅BO₂CAS 57404-76-9142.00 g/mol

Open in Covalent MOL file

Alkene Boronic acid

Properties

Molecular formula: C₇H₁₅BO₂
Molar mass: 142.00 g/mol
Exact mass: 142.1165 Da
logP: 1.13Crippen estimate
Polar surface area: 40.5 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 5
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

57404-76-9

SMILES

B(/C=C/CCCCC)(O)O

InChIKey

LDTJUGVTOZBIBN-VOTSOKGWSA-N

InChI

InChI=1S/C7H15BO2/c1-2-3-4-5-6-7-8(9)10/h6-7,9-10H,2-5H2,1H3/b7-6+

Weigh it out

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

Names and synonyms

1 names

(1E)-(Hept-1-en-1-yl)boronic acid

Work with trans-Heptenylboronic 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 acid42599-16-696 % similar trans-Nonenylboronic acid57404-77-096 % similar B-(1E)-1-Hexenylboronic acid42599-18-887 % similar 1-Pentenylboronic acid104376-24-171 % similar (Z)-9-Tricosene27519-02-454 % similar (Z)-3-Nonen-1-ol10340-23-550 % similar 2-Octene111-67-150 % similar trans-2-Octene13389-42-950 % similar

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

Elsewhere

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