[(2R,3aR,4S)-4-tri(propan-2-yl)silyloxy-2,3,3a,4,5,6-hexahydropyrrolo[1,2-b][1,2]oxazol-2-yl]methanol

C16H33NO3Si — CID 51351202

IUPAC[(2R,3aR,4S)-4-tri(propan-2-yl)silyloxy-2,3,3a,4,5,6-hexahydropyrrolo[1,2-b][1,2]oxazol-2-yl]methanol
SMILESCC(C)[Si](O[C@H]1CCN2O[C@@H](CO)C[C@H]12)(C(C)C)C(C)C
InChIInChI=1S/C16H33NO3Si/c1-11(2)21(12(3)4,13(5)6)20-16-7-8-17-15(16)9-14(10-18)19-17/h11-16,18H,7-10H2,1-6H3/t14-,15-,16+/m1/s1
InChIKeyTUXHKKYUIAFGMH-OAGGEKHMSA-N
MW315.53 g/mol
LogP3.32
Rot. Bonds6

About [(2R,3aR,4S)-4-tri(propan-2-yl)silyloxy-2,3,3a,4,5,6-hexahydropyrrolo[1,2-b][1,2]oxazol-2-yl]methanol

[(2R,3aR,4S)-4-tri(propan-2-yl)silyloxy-2,3,3a,4,5,6-hexahydropyrrolo[1,2-b][1,2]oxazol-2-yl]methanol (PubChem CID 51351202) has the molecular formula C16H33NO3Si and a molecular weight of 315.53 g/mol. Its IUPAC name is [(2R,3aR,4S)-4-tri(propan-2-yl)silyloxy-2,3,3a,4,5,6-hexahydropyrrolo[1,2-b][1,2]oxazol-2-yl]methanol.

Molecular Properties

Compound Name[(2R,3aR,4S)-4-tri(propan-2-yl)silyloxy-2,3,3a,4,5,6-hexahydropyrrolo[1,2-b][1,2]oxazol-2-yl]methanol
PubChem CID51351202
Molecular FormulaC16H33NO3Si
Molecular Weight315.53 g/mol
Exact Mass315.22
IUPAC Name[(2R,3aR,4S)-4-tri(propan-2-yl)silyloxy-2,3,3a,4,5,6-hexahydropyrrolo[1,2-b][1,2]oxazol-2-yl]methanol
SMILESCC(C)[Si](O[C@H]1CCN2O[C@@H](CO)C[C@H]12)(C(C)C)C(C)C
InChIInChI=1S/C16H33NO3Si/c1-11(2)21(12(3)4,13(5)6)20-16-7-8-17-15(16)9-14(10-18)19-17/h11-16,18H,7-10H2,1-6H3/t14-,15-,16+/m1/s1
InChIKeyTUXHKKYUIAFGMH-OAGGEKHMSA-N
XLogP3.32
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.53
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 11727228
CID 21608012
CID 21608012
CID 51351335
CID 51351335
CID 101371412
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CID 102149606
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CID 102149607

Frequently Asked Questions

What is the IUPAC name of [(2R,3aR,4S)-4-tri(propan-2-yl)silyloxy-2,3,3a,4,5,6-hexahydropyrrolo[1,2-b][1,2]oxazol-2-yl]methanol?
The IUPAC name of [(2R,3aR,4S)-4-tri(propan-2-yl)silyloxy-2,3,3a,4,5,6-hexahydropyrrolo[1,2-b][1,2]oxazol-2-yl]methanol (CID 51351202) is [(2R,3aR,4S)-4-tri(propan-2-yl)silyloxy-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-tri(propan-2-yl)silyloxy-2,3,3a,4,5,6-hexahydropyrrolo[1,2-b][1,2]oxazol-2-yl]methanol?
The canonical SMILES for [(2R,3aR,4S)-4-tri(propan-2-yl)silyloxy-2,3,3a,4,5,6-hexahydropyrrolo[1,2-b][1,2]oxazol-2-yl]methanol is CC(C)[Si](O[C@H]1CCN2O[C@@H](CO)C[C@H]12)(C(C)C)C(C)C.
What is the InChIKey of [(2R,3aR,4S)-4-tri(propan-2-yl)silyloxy-2,3,3a,4,5,6-hexahydropyrrolo[1,2-b][1,2]oxazol-2-yl]methanol?
The InChIKey is TUXHKKYUIAFGMH-OAGGEKHMSA-N. The full InChI is InChI=1S/C16H33NO3Si/c1-11(2)21(12(3)4,13(5)6)20-16-7-8-17-15(16)9-14(10-18)19-17/h11-16,18H,7-10H2,1-6H3/t14-,15-,16+/m1/s1.
What are the key properties of [(2R,3aR,4S)-4-tri(propan-2-yl)silyloxy-2,3,3a,4,5,6-hexahydropyrrolo[1,2-b][1,2]oxazol-2-yl]methanol?
[(2R,3aR,4S)-4-tri(propan-2-yl)silyloxy-2,3,3a,4,5,6-hexahydropyrrolo[1,2-b][1,2]oxazol-2-yl]methanol has a molecular weight of 315.53 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3aR,4S)-4-tri(propan-2-yl)silyloxy-2,3,3a,4,5,6-hexahydropyrrolo[1,2-b][1,2]oxazol-2-yl]methanol is sourced from PubChem (CID 51351202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).