(S,S)-t-Bu-box

Catalog Number	ACM131833937-1
CAS	131833-93-7
Structure
Synonyms	4S,4'S)-2,2'-(Propane-2,2-diyl)bis(4-(tert-butyl)-4,5-dihydrooxazole); (S,S)-(-)-2,2'-Isopropylidenebis(4-tert-butyl-2-oxazoline)
IUPAC Name	(4S)-4-tert-butyl-2-[2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole
Molecular Weight	294.43
Molecular Formula	C17H30N2O2
Canonical SMILES	CC(C)(C)C1COC(=N1)C(C)(C)C2=NC(CO2)C(C)(C)C
InChI	DPMGLJUMNRDNMX-VXGBXAGGSA-N
InChI Key	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-/m1/s1
Boiling Point	350.4±25.0 °C(Predicted)
Melting Point	89-91 °C-lit.
Appearance	White to light yellow powder
Exact Mass	294.230728204
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isomeric SMILES	CC(C)(C)[C@H]1COC(=N1)C(C)(C)C2=N[C@H](CO2)C(C)(C)C
Monoisotopic Mass	294.230728204
Rotatable Bond Count	4
Topological Polar Surface Area	43.2 Ų