chempirical

(-)-Diisopinocampheyl chloroborane

C20H34BClCAS 85116-37-6320.75 g/mol

Open in Covalent MOL file
BCl

Properties

Molecular formula
C20H34BCl
Molar mass
320.75 g/mol
Exact mass
320.2442 Da
logP
6.36Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
2
Stereocentres
R, R, R, S, R, R, R, Sin SMILES atom 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
85116-37-6
SMILES
B([C@@H]1C[C@@H]2C[C@H]([C@H]1C)C2(C)C)([C@@H]3C[C@@H]4C[C@H]([C@H]3C)C4(C)C)Cl
InChIKey
PSEHHVRCDVOTID-VMAIWCPRSA-N
InChI
InChI=1S/C20H34BCl/c1-11-15-7-13(19(15,3)4)9-17(11)21(22)18-10-14-8-16(12(18)2)20(14,5)6/h11-18H,7-10H2,1-6H3/t11-,12-,13+,14+,15-,16-,17-,18-/m1/s1

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Names and synonyms

1 names
  • Chlorobis((1R,2S,3R,5R)-2,6,6-trimethylbicyclo[3.1.1]heptan-3-yl)borane

Work with (-)-Diisopinocampheyl chloroborane

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Chlorobis((1S,2R,3S,5S)-2,6,6-trimethylbicyclo(3.1.1)hept-3-yl)borane112246-73-8Enantiomer

Similar compounds

Pinane473-55-237 % similar cis-Pinane6876-13-737 % similar (+)-Pinanediol18680-27-830 % similar Pinanediol22422-34-030 % similar

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

Elsewhere

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