chempirical

1-Cyclohexenylboronic acid

C6H11BO2CAS 89490-05-1125.96 g/mol

Open in Covalent MOL file
BHOHO
AlkeneBoronic acid

Properties

Molecular formula
C6H11BO2
Molar mass
125.96 g/mol
Exact mass
126.0852 Da
logP
0.50Crippen estimate
Polar surface area
40.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1

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
89490-05-1
SMILES
B(C1=CCCCC1)(O)O
InChIKey
XZWQKJXJNKYMAP-UHFFFAOYSA-N
InChI
InChI=1S/C6H11BO2/c8-7(9)6-4-2-1-3-5-6/h4,8-9H,1-3,5H2

Weigh it out

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

Work with 1-Cyclohexenylboronic 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

Cyclopenten-1-ylboronic acid850036-28-186 % similar 2-(Cyclohex-1-en-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane141091-37-444 % similar Methylcyclohexene591-49-137 % similar 1-Cyclohexene-1-carboxylic acid636-82-835 % similar 1-Cyclohexene-1-carboxaldehyde1192-88-734 % similar 1-(1-Cyclohexen-1-yl)pyrrolidine1125-99-133 % similar 1-Cyclohexene-1-acetic acid18294-87-633 % similar 1-Cyclohexene-1-carbonitrile1855-63-633 % similar

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

Elsewhere

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