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

C24H49NO2Si — CID 101371412

IUPAC[(2S,3aR,4S)-2-nonyl-2,3,3a,4,5,6-hexahydropyrrolo[1,2-b][1,2]oxazol-4-yl]oxy-tri(propan-2-yl)silane
SMILESCCCCCCCCC[C@H]1C[C@@H]2[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)CCN2O1
InChIInChI=1S/C24H49NO2Si/c1-8-9-10-11-12-13-14-15-22-18-23-24(16-17-25(23)26-22)27-28(19(2)3,20(4)5)21(6)7/h19-24H,8-18H2,1-7H3/t22-,23+,24-/m0/s1
InChIKeyUJMBCYDQDYBDOK-VXNXHJTFSA-N
MW411.75 g/mol
LogP7.47
Rot. Bonds13

About [(2S,3aR,4S)-2-nonyl-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-nonyl-2,3,3a,4,5,6-hexahydropyrrolo[1,2-b][1,2]oxazol-4-yl]oxy-tri(propan-2-yl)silane (PubChem CID 101371412) has the molecular formula C24H49NO2Si and a molecular weight of 411.75 g/mol. Its IUPAC name is [(2S,3aR,4S)-2-nonyl-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-nonyl-2,3,3a,4,5,6-hexahydropyrrolo[1,2-b][1,2]oxazol-4-yl]oxy-tri(propan-2-yl)silane
PubChem CID101371412
Molecular FormulaC24H49NO2Si
Molecular Weight411.75 g/mol
Exact Mass411.35
IUPAC Name[(2S,3aR,4S)-2-nonyl-2,3,3a,4,5,6-hexahydropyrrolo[1,2-b][1,2]oxazol-4-yl]oxy-tri(propan-2-yl)silane
SMILESCCCCCCCCC[C@H]1C[C@@H]2[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)CCN2O1
InChIInChI=1S/C24H49NO2Si/c1-8-9-10-11-12-13-14-15-22-18-23-24(16-17-25(23)26-22)27-28(19(2)3,20(4)5)21(6)7/h19-24H,8-18H2,1-7H3/t22-,23+,24-/m0/s1
InChIKeyUJMBCYDQDYBDOK-VXNXHJTFSA-N
XLogP7.47
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.75
LogP ≤ 57.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(2S,3aR,4S)-2-nonyl-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-nonyl-2,3,3a,4,5,6-hexahydropyrrolo[1,2-b][1,2]oxazol-4-yl]oxy-tri(propan-2-yl)silane (CID 101371412) is [(2S,3aR,4S)-2-nonyl-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-nonyl-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-nonyl-2,3,3a,4,5,6-hexahydropyrrolo[1,2-b][1,2]oxazol-4-yl]oxy-tri(propan-2-yl)silane is CCCCCCCCC[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-nonyl-2,3,3a,4,5,6-hexahydropyrrolo[1,2-b][1,2]oxazol-4-yl]oxy-tri(propan-2-yl)silane?
The InChIKey is UJMBCYDQDYBDOK-VXNXHJTFSA-N. The full InChI is InChI=1S/C24H49NO2Si/c1-8-9-10-11-12-13-14-15-22-18-23-24(16-17-25(23)26-22)27-28(19(2)3,20(4)5)21(6)7/h19-24H,8-18H2,1-7H3/t22-,23+,24-/m0/s1.
What are the key properties of [(2S,3aR,4S)-2-nonyl-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-nonyl-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 411.75 g/mol, XLogP of 7.47, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3aR,4S)-2-nonyl-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 101371412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).