(4R)-3-[(3R)-7-[tert-butyl(dimethyl)silyl]oxy-3-phenylheptanoyl]-4-phenyl-1,3-oxazolidin-2-one

C28H39NO4Si — CID 134903062

About (4R)-3-[(3R)-7-[tert-butyl(dimethyl)silyl]oxy-3-phenylheptanoyl]-4-phenyl-1,3-oxazolidin-2-one

(4R)-3-[(3R)-7-[tert-butyl(dimethyl)silyl]oxy-3-phenylheptanoyl]-4-phenyl-1,3-oxazolidin-2-one (PubChem CID 134903062) has the molecular formula C28H39NO4Si and a molecular weight of 481.71 g/mol. Its IUPAC name is (4R)-3-[(3R)-7-[tert-butyl(dimethyl)silyl]oxy-3-phenylheptanoyl]-4-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: (4R)-3-[(3R)-7-[tert-butyl(dimethyl)silyl]oxy-3-phenylheptanoyl]-4-phenyl-1,3-oxazolidin-2-one
• PubChem CID: 134903062
• Molecular Formula: C28H39NO4Si
• Molecular Weight: 481.71 g/mol
• Exact Mass: 481.26
• IUPAC Name: (4R)-3-[(3R)-7-[tert-butyl(dimethyl)silyl]oxy-3-phenylheptanoyl]-4-phenyl-1,3-oxazolidin-2-one
• SMILES: CC(C)(C)[Si](C)(C)OCCCC[C@H](CC(=O)N1C(=O)OC[C@H]1c1ccccc1)c1ccccc1
• InChI: InChI=1S/C28H39NO4Si/c1-28(2,3)34(4,5)33-19-13-12-18-24(22-14-8-6-9-15-22)20-26(30)29-25(21-32-27(29)31)23-16-10-7-11-17-23/h6-11,14-17,24-25H,12-13,18-21H2,1-5H3/t24-,25+/m1/s1
• InChIKey: VVSXDIQDIYBNOC-RPBOFIJWSA-N
• XLogP: 7.07
• TPSA: 55.84 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	481.71
LogP ≤ 5	7.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (4R)-3-[(3R)-7-[tert-butyl(dimethyl)silyl]oxy-3-phenylheptanoyl]-4-phenyl-1,3-oxazolidin-2-one?

The IUPAC name of (4R)-3-[(3R)-7-[tert-butyl(dimethyl)silyl]oxy-3-phenylheptanoyl]-4-phenyl-1,3-oxazolidin-2-one (CID 134903062) is (4R)-3-[(3R)-7-[tert-butyl(dimethyl)silyl]oxy-3-phenylheptanoyl]-4-phenyl-1,3-oxazolidin-2-one.

What is the SMILES notation for (4R)-3-[(3R)-7-[tert-butyl(dimethyl)silyl]oxy-3-phenylheptanoyl]-4-phenyl-1,3-oxazolidin-2-one?

The canonical SMILES for (4R)-3-[(3R)-7-[tert-butyl(dimethyl)silyl]oxy-3-phenylheptanoyl]-4-phenyl-1,3-oxazolidin-2-one is CC(C)(C)[Si](C)(C)OCCCC[C@H](CC(=O)N1C(=O)OC[C@H]1c1ccccc1)c1ccccc1.

What is the InChIKey of (4R)-3-[(3R)-7-[tert-butyl(dimethyl)silyl]oxy-3-phenylheptanoyl]-4-phenyl-1,3-oxazolidin-2-one?

The InChIKey is VVSXDIQDIYBNOC-RPBOFIJWSA-N. The full InChI is InChI=1S/C28H39NO4Si/c1-28(2,3)34(4,5)33-19-13-12-18-24(22-14-8-6-9-15-22)20-26(30)29-25(21-32-27(29)31)23-16-10-7-11-17-23/h6-11,14-17,24-25H,12-13,18-21H2,1-5H3/t24-,25+/m1/s1.

What are the key properties of (4R)-3-[(3R)-7-[tert-butyl(dimethyl)silyl]oxy-3-phenylheptanoyl]-4-phenyl-1,3-oxazolidin-2-one?

(4R)-3-[(3R)-7-[tert-butyl(dimethyl)silyl]oxy-3-phenylheptanoyl]-4-phenyl-1,3-oxazolidin-2-one has a molecular weight of 481.71 g/mol, XLogP of 7.07, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-3-[(3R)-7-[tert-butyl(dimethyl)silyl]oxy-3-phenylheptanoyl]-4-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 134903062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).