(3S)-3-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyl-1-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]heptane-1,5-dione

C21H39NO5Si — CID 11315942

About (3S)-3-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyl-1-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]heptane-1,5-dione

(3S)-3-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyl-1-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]heptane-1,5-dione (PubChem CID 11315942) has the molecular formula C21H39NO5Si and a molecular weight of 413.63 g/mol. Its IUPAC name is (3S)-3-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyl-1-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]heptane-1,5-dione.

Molecular Properties

• Compound Name: (3S)-3-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyl-1-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]heptane-1,5-dione
• PubChem CID: 11315942
• Molecular Formula: C21H39NO5Si
• Molecular Weight: 413.63 g/mol
• Exact Mass: 413.26
• IUPAC Name: (3S)-3-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyl-1-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]heptane-1,5-dione
• SMILES: CCC(=O)C(C)(C)[C@H](CC(=O)N1C(=O)OC[C@@H]1C(C)C)O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C21H39NO5Si/c1-11-16(23)21(7,8)17(27-28(9,10)20(4,5)6)12-18(24)22-15(14(2)3)13-26-19(22)25/h14-15,17H,11-13H2,1-10H3/t15-,17+/m1/s1
• InChIKey: CLWJANFOAXEUJD-WBVHZDCISA-N
• XLogP: 4.78
• TPSA: 72.91 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	413.63
LogP ≤ 5	4.78
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyl-1-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]heptane-1,5-dione?

The IUPAC name of (3S)-3-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyl-1-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]heptane-1,5-dione (CID 11315942) is (3S)-3-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyl-1-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]heptane-1,5-dione.

What is the SMILES notation for (3S)-3-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyl-1-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]heptane-1,5-dione?

The canonical SMILES for (3S)-3-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyl-1-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]heptane-1,5-dione is CCC(=O)C(C)(C)[C@H](CC(=O)N1C(=O)OC[C@@H]1C(C)C)O[Si](C)(C)C(C)(C)C.

What is the InChIKey of (3S)-3-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyl-1-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]heptane-1,5-dione?

The InChIKey is CLWJANFOAXEUJD-WBVHZDCISA-N. The full InChI is InChI=1S/C21H39NO5Si/c1-11-16(23)21(7,8)17(27-28(9,10)20(4,5)6)12-18(24)22-15(14(2)3)13-26-19(22)25/h14-15,17H,11-13H2,1-10H3/t15-,17+/m1/s1.

What are the key properties of (3S)-3-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyl-1-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]heptane-1,5-dione?

(3S)-3-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyl-1-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]heptane-1,5-dione has a molecular weight of 413.63 g/mol, XLogP of 4.78, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-3-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyl-1-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]heptane-1,5-dione is sourced from PubChem (CID 11315942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).