[(2R,3S)-5-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-2-methyl-6-oxo-2,3-dihydropyran-3-yl] (2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate

C25H35F3O6Si — CID 24763162

About [(2R,3S)-5-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-2-methyl-6-oxo-2,3-dihydropyran-3-yl] (2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate

[(2R,3S)-5-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-2-methyl-6-oxo-2,3-dihydropyran-3-yl] (2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate (PubChem CID 24763162) has the molecular formula C25H35F3O6Si and a molecular weight of 516.63 g/mol. Its IUPAC name is [(2R,3S)-5-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-2-methyl-6-oxo-2,3-dihydropyran-3-yl] (2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate.

Molecular Properties

• Compound Name: [(2R,3S)-5-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-2-methyl-6-oxo-2,3-dihydropyran-3-yl] (2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate
• PubChem CID: 24763162
• Molecular Formula: C25H35F3O6Si
• Molecular Weight: 516.63 g/mol
• Exact Mass: 516.22
• IUPAC Name: [(2R,3S)-5-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-2-methyl-6-oxo-2,3-dihydropyran-3-yl] (2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate
• SMILES: CO[C@](C(=O)O[C@H]1C=C(C[C@H](C)O[Si](C)(C)C(C)(C)C)C(=O)O[C@@H]1C)(c1ccccc1)C(F)(F)F
• InChI: InChI=1S/C25H35F3O6Si/c1-16(34-35(7,8)23(3,4)5)14-18-15-20(17(2)32-21(18)29)33-22(30)24(31-6,25(26,27)28)19-12-10-9-11-13-19/h9-13,15-17,20H,14H2,1-8H3/t16-,17+,20-,24-/m0/s1
• InChIKey: GQAFSRIDDUSMIJ-NPGKMWDHSA-N
• XLogP: 5.67
• TPSA: 71.06 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	516.63
LogP ≤ 5	5.67
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(2R,3S)-5-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-2-methyl-6-oxo-2,3-dihydropyran-3-yl] (2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate?

The IUPAC name of [(2R,3S)-5-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-2-methyl-6-oxo-2,3-dihydropyran-3-yl] (2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate (CID 24763162) is [(2R,3S)-5-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-2-methyl-6-oxo-2,3-dihydropyran-3-yl] (2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate.

What is the SMILES notation for [(2R,3S)-5-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-2-methyl-6-oxo-2,3-dihydropyran-3-yl] (2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate?

The canonical SMILES for [(2R,3S)-5-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-2-methyl-6-oxo-2,3-dihydropyran-3-yl] (2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate is CO[C@](C(=O)O[C@H]1C=C(C[C@H](C)O[Si](C)(C)C(C)(C)C)C(=O)O[C@@H]1C)(c1ccccc1)C(F)(F)F.

What is the InChIKey of [(2R,3S)-5-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-2-methyl-6-oxo-2,3-dihydropyran-3-yl] (2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate?

The InChIKey is GQAFSRIDDUSMIJ-NPGKMWDHSA-N. The full InChI is InChI=1S/C25H35F3O6Si/c1-16(34-35(7,8)23(3,4)5)14-18-15-20(17(2)32-21(18)29)33-22(30)24(31-6,25(26,27)28)19-12-10-9-11-13-19/h9-13,15-17,20H,14H2,1-8H3/t16-,17+,20-,24-/m0/s1.

What are the key properties of [(2R,3S)-5-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-2-methyl-6-oxo-2,3-dihydropyran-3-yl] (2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate?

[(2R,3S)-5-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-2-methyl-6-oxo-2,3-dihydropyran-3-yl] (2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate has a molecular weight of 516.63 g/mol, XLogP of 5.67, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,3S)-5-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-2-methyl-6-oxo-2,3-dihydropyran-3-yl] (2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate is sourced from PubChem (CID 24763162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).