[(2S,3aR,4S)-2-butyl-2,3,3a,4,5,6-hexahydropyrrolo[1,2-b][1,2]oxazol-4-yl]oxy-tri(propan-2-yl)silane

C19H39NO2Si — CID 102149607

IUPAC[(2S,3aR,4S)-2-butyl-2,3,3a,4,5,6-hexahydropyrrolo[1,2-b][1,2]oxazol-4-yl]oxy-tri(propan-2-yl)silane
SMILESCCCC[C@H]1C[C@@H]2[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)CCN2O1
InChIInChI=1S/C19H39NO2Si/c1-8-9-10-17-13-18-19(11-12-20(18)21-17)22-23(14(2)3,15(4)5)16(6)7/h14-19H,8-13H2,1-7H3/t17-,18+,19-/m0/s1
InChIKeyNAGLPQRDABJCSZ-OTWHNJEPSA-N
MW341.61 g/mol
LogP5.52
Rot. Bonds8

About [(2S,3aR,4S)-2-butyl-2,3,3a,4,5,6-hexahydropyrrolo[1,2-b][1,2]oxazol-4-yl]oxy-tri(propan-2-yl)silane

[(2S,3aR,4S)-2-butyl-2,3,3a,4,5,6-hexahydropyrrolo[1,2-b][1,2]oxazol-4-yl]oxy-tri(propan-2-yl)silane (PubChem CID 102149607) has the molecular formula C19H39NO2Si and a molecular weight of 341.61 g/mol. Its IUPAC name is [(2S,3aR,4S)-2-butyl-2,3,3a,4,5,6-hexahydropyrrolo[1,2-b][1,2]oxazol-4-yl]oxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(2S,3aR,4S)-2-butyl-2,3,3a,4,5,6-hexahydropyrrolo[1,2-b][1,2]oxazol-4-yl]oxy-tri(propan-2-yl)silane
PubChem CID102149607
Molecular FormulaC19H39NO2Si
Molecular Weight341.61 g/mol
Exact Mass341.28
IUPAC Name[(2S,3aR,4S)-2-butyl-2,3,3a,4,5,6-hexahydropyrrolo[1,2-b][1,2]oxazol-4-yl]oxy-tri(propan-2-yl)silane
SMILESCCCC[C@H]1C[C@@H]2[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)CCN2O1
InChIInChI=1S/C19H39NO2Si/c1-8-9-10-17-13-18-19(11-12-20(18)21-17)22-23(14(2)3,15(4)5)16(6)7/h14-19H,8-13H2,1-7H3/t17-,18+,19-/m0/s1
InChIKeyNAGLPQRDABJCSZ-OTWHNJEPSA-N
XLogP5.52
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.61
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 [(2S,3aR,4S)-2-butyl-2,3,3a,4,5,6-hexahydropyrrolo[1,2-b][1,2]oxazol-4-yl]oxy-tri(propan-2-yl)silane?
The IUPAC name of [(2S,3aR,4S)-2-butyl-2,3,3a,4,5,6-hexahydropyrrolo[1,2-b][1,2]oxazol-4-yl]oxy-tri(propan-2-yl)silane (CID 102149607) is [(2S,3aR,4S)-2-butyl-2,3,3a,4,5,6-hexahydropyrrolo[1,2-b][1,2]oxazol-4-yl]oxy-tri(propan-2-yl)silane.
What is the SMILES notation for [(2S,3aR,4S)-2-butyl-2,3,3a,4,5,6-hexahydropyrrolo[1,2-b][1,2]oxazol-4-yl]oxy-tri(propan-2-yl)silane?
The canonical SMILES for [(2S,3aR,4S)-2-butyl-2,3,3a,4,5,6-hexahydropyrrolo[1,2-b][1,2]oxazol-4-yl]oxy-tri(propan-2-yl)silane is CCCC[C@H]1C[C@@H]2[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)CCN2O1.
What is the InChIKey of [(2S,3aR,4S)-2-butyl-2,3,3a,4,5,6-hexahydropyrrolo[1,2-b][1,2]oxazol-4-yl]oxy-tri(propan-2-yl)silane?
The InChIKey is NAGLPQRDABJCSZ-OTWHNJEPSA-N. The full InChI is InChI=1S/C19H39NO2Si/c1-8-9-10-17-13-18-19(11-12-20(18)21-17)22-23(14(2)3,15(4)5)16(6)7/h14-19H,8-13H2,1-7H3/t17-,18+,19-/m0/s1.
What are the key properties of [(2S,3aR,4S)-2-butyl-2,3,3a,4,5,6-hexahydropyrrolo[1,2-b][1,2]oxazol-4-yl]oxy-tri(propan-2-yl)silane?
[(2S,3aR,4S)-2-butyl-2,3,3a,4,5,6-hexahydropyrrolo[1,2-b][1,2]oxazol-4-yl]oxy-tri(propan-2-yl)silane has a molecular weight of 341.61 g/mol, XLogP of 5.52, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3aR,4S)-2-butyl-2,3,3a,4,5,6-hexahydropyrrolo[1,2-b][1,2]oxazol-4-yl]oxy-tri(propan-2-yl)silane is sourced from PubChem (CID 102149607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).