(R,R)-(-)-2,2'-Isopropylidenebis(4-tert-butyl-2-oxazoline)

C17H30N2O2CAS 131833-97-1294.44 g/mol

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Properties

Molecular formula
C17H30N2O2
Molar mass
294.44 g/mol
Exact mass
294.2307 Da
logP
3.70Crippen estimate
Polar surface area
43.2 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
2
Stereocentres
R, Rin SMILES atom order

Hazards

Warning
Irritant (GHS07)

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364

Identifiers

CAS number
131833-97-1
SMILES
CC(C)(C)[C@@H]1COC(=N1)C(C)(C)C2=N[C@@H](CO2)C(C)(C)C
InChIKey
DPMGLJUMNRDNMX-RYUDHWBXSA-N
InChI
InChI=1S/C17H30N2O2/c1-15(2,3)11-9-20-13(18-11)17(7,8)14-19-12(10-21-14)16(4,5)6/h11-12H,9-10H2,1-8H3/t11-,12-/m0/s1

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Names and synonyms

1 names
  • t-Bu-box, (R,R)-

Work with (R,R)-(-)-2,2'-Isopropylidenebis(4-tert-butyl-2-oxazoline)

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.

2,2-Bis[2-[4(S)-tert-butyl-1,3-oxazolinyl]]propane131833-93-7Enantiomer

Similar compounds

(S,S)-2,2-Bis(4-phenyl-2-oxazolin-2-yl)propane131457-46-047 % similar (R,R)-2,2'-(Dimethylmethylene)bis(4-phenyl-2-oxazoline)150529-93-447 % similar (S)-(-)-4-tert-Butyl-2-oxazolidinone54705-42-931 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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