(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 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 2
Stereocentres: R, Rin SMILES atom order

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

Similar compounds

(S,S)-2,2-Bis(4-phenyl-2-oxazolin-2-yl)propane131457-46-047 % similar

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

Same formula

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

Elsewhere

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