(-)-Diisopinocampheyl chloroborane
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.
Identifiers
CAS number
85116-37-6SMILES
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)ClInChIKey
PSEHHVRCDVOTID-VMAIWCPRSA-NInChI
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/s1Characterization data
Calculated from the structure, in the form journals print them.
[M + H]+
[M + H]+ Calcd for C20H35BCl 321.2515[M + Na]+
[M + Na]+ Calcd for C20H34BClNa 343.2334[M − H]−
[M − H]− Calcd for C20H33BCl 319.2369Elemental analysis
Anal. Calcd for C20H34BCl: C, 74.89; H, 10.68.Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
1 name
- Chlorobis((1R,2S,3R,5R)-2,6,6-trimethylbicyclo[3.1.1]heptan-3-yl)borane
Work with (-)-Diisopinocampheyl chloroborane
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.
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.