[(2R,3aR,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,4,5,6-hexahydropyrrolo[1,2-b][1,2]oxazol-2-yl]methanol

C13H27NO3Si — CID 10707437

IUPAC[(2R,3aR,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,4,5,6-hexahydropyrrolo[1,2-b][1,2]oxazol-2-yl]methanol
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CCN2O[C@@H](CO)C[C@H]12
InChIInChI=1S/C13H27NO3Si/c1-13(2,3)18(4,5)17-12-6-7-14-11(12)8-10(9-15)16-14/h10-12,15H,6-9H2,1-5H3/t10-,11-,12+/m1/s1
InChIKeyJJQJXOOZSFYABK-UTUOFQBUSA-N
MW273.45 g/mol
LogP2.15
Rot. Bonds3

About [(2R,3aR,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,4,5,6-hexahydropyrrolo[1,2-b][1,2]oxazol-2-yl]methanol

[(2R,3aR,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,4,5,6-hexahydropyrrolo[1,2-b][1,2]oxazol-2-yl]methanol (PubChem CID 10707437) has the molecular formula C13H27NO3Si and a molecular weight of 273.45 g/mol. Its IUPAC name is [(2R,3aR,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,4,5,6-hexahydropyrrolo[1,2-b][1,2]oxazol-2-yl]methanol.

Molecular Properties

Compound Name[(2R,3aR,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,4,5,6-hexahydropyrrolo[1,2-b][1,2]oxazol-2-yl]methanol
PubChem CID10707437
Molecular FormulaC13H27NO3Si
Molecular Weight273.45 g/mol
Exact Mass273.18
IUPAC Name[(2R,3aR,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,4,5,6-hexahydropyrrolo[1,2-b][1,2]oxazol-2-yl]methanol
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CCN2O[C@@H](CO)C[C@H]12
InChIInChI=1S/C13H27NO3Si/c1-13(2,3)18(4,5)17-12-6-7-14-11(12)8-10(9-15)16-14/h10-12,15H,6-9H2,1-5H3/t10-,11-,12+/m1/s1
InChIKeyJJQJXOOZSFYABK-UTUOFQBUSA-N
XLogP2.15
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.45
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(2R,3aR,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,4,5,6-hexahydropyrrolo[1,2-b][1,2]oxazol-2-yl]methanol?
The IUPAC name of [(2R,3aR,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,4,5,6-hexahydropyrrolo[1,2-b][1,2]oxazol-2-yl]methanol (CID 10707437) is [(2R,3aR,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,4,5,6-hexahydropyrrolo[1,2-b][1,2]oxazol-2-yl]methanol.
What is the SMILES notation for [(2R,3aR,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,4,5,6-hexahydropyrrolo[1,2-b][1,2]oxazol-2-yl]methanol?
The canonical SMILES for [(2R,3aR,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,4,5,6-hexahydropyrrolo[1,2-b][1,2]oxazol-2-yl]methanol is CC(C)(C)[Si](C)(C)O[C@H]1CCN2O[C@@H](CO)C[C@H]12.
What is the InChIKey of [(2R,3aR,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,4,5,6-hexahydropyrrolo[1,2-b][1,2]oxazol-2-yl]methanol?
The InChIKey is JJQJXOOZSFYABK-UTUOFQBUSA-N. The full InChI is InChI=1S/C13H27NO3Si/c1-13(2,3)18(4,5)17-12-6-7-14-11(12)8-10(9-15)16-14/h10-12,15H,6-9H2,1-5H3/t10-,11-,12+/m1/s1.
What are the key properties of [(2R,3aR,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,4,5,6-hexahydropyrrolo[1,2-b][1,2]oxazol-2-yl]methanol?
[(2R,3aR,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,4,5,6-hexahydropyrrolo[1,2-b][1,2]oxazol-2-yl]methanol has a molecular weight of 273.45 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3aR,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,4,5,6-hexahydropyrrolo[1,2-b][1,2]oxazol-2-yl]methanol is sourced from PubChem (CID 10707437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).