3-[3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-phenylmethoxypentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one

C26H43NO5Si — CID 563272

About 3-[3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-phenylmethoxypentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one

3-[3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-phenylmethoxypentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 563272) has the molecular formula C26H43NO5Si and a molecular weight of 477.72 g/mol. Its IUPAC name is 3-[3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-phenylmethoxypentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: 3-[3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-phenylmethoxypentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
• PubChem CID: 563272
• Molecular Formula: C26H43NO5Si
• Molecular Weight: 477.72 g/mol
• Exact Mass: 477.29
• IUPAC Name: 3-[3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-phenylmethoxypentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
• SMILES: CC(C)C1COC(=O)N1C(=O)C(C)C(O[Si](C)(C)C(C)(C)C)C(C)COCc1ccccc1
• InChI: InChI=1S/C26H43NO5Si/c1-18(2)22-17-31-25(29)27(22)24(28)20(4)23(32-33(8,9)26(5,6)7)19(3)15-30-16-21-13-11-10-12-14-21/h10-14,18-20,22-23H,15-17H2,1-9H3
• InChIKey: OVAHZDNOCZPPOT-UHFFFAOYSA-N
• XLogP: 5.87
• TPSA: 65.07 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	477.72
LogP ≤ 5	5.87
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 3-[3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-phenylmethoxypentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?

The IUPAC name of 3-[3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-phenylmethoxypentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one (CID 563272) is 3-[3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-phenylmethoxypentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one.

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

The canonical SMILES for 3-[3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-phenylmethoxypentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one is CC(C)C1COC(=O)N1C(=O)C(C)C(O[Si](C)(C)C(C)(C)C)C(C)COCc1ccccc1.

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

The InChIKey is OVAHZDNOCZPPOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H43NO5Si/c1-18(2)22-17-31-25(29)27(22)24(28)20(4)23(32-33(8,9)26(5,6)7)19(3)15-30-16-21-13-11-10-12-14-21/h10-14,18-20,22-23H,15-17H2,1-9H3.

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

3-[3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-phenylmethoxypentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 477.72 g/mol, XLogP of 5.87, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-phenylmethoxypentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 563272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).