(4S)-4-benzyl-3-[(2R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-2-methyl-4-methylidenenonanoyl]-1,3-oxazolidin-2-one

C27H43NO4Si — CID 71567164

About (4S)-4-benzyl-3-[(2R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-2-methyl-4-methylidenenonanoyl]-1,3-oxazolidin-2-one

(4S)-4-benzyl-3-[(2R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-2-methyl-4-methylidenenonanoyl]-1,3-oxazolidin-2-one (PubChem CID 71567164) has the molecular formula C27H43NO4Si and a molecular weight of 473.73 g/mol. Its IUPAC name is (4S)-4-benzyl-3-[(2R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-2-methyl-4-methylidenenonanoyl]-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: (4S)-4-benzyl-3-[(2R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-2-methyl-4-methylidenenonanoyl]-1,3-oxazolidin-2-one
• PubChem CID: 71567164
• Molecular Formula: C27H43NO4Si
• Molecular Weight: 473.73 g/mol
• Exact Mass: 473.30
• IUPAC Name: (4S)-4-benzyl-3-[(2R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-2-methyl-4-methylidenenonanoyl]-1,3-oxazolidin-2-one
• SMILES: C=C(C[C@@H](CCC)O[Si](C)(C)C(C)(C)C)C[C@@H](C)C(=O)N1C(=O)OC[C@@H]1Cc1ccccc1
• InChI: InChI=1S/C27H43NO4Si/c1-9-13-24(32-33(7,8)27(4,5)6)17-20(2)16-21(3)25(29)28-23(19-31-26(28)30)18-22-14-11-10-12-15-22/h10-12,14-15,21,23-24H,2,9,13,16-19H2,1,3-8H3/t21-,23+,24-/m1/s1
• InChIKey: LBANLSLYDXEMFX-YFNKSVMNSA-N
• XLogP: 6.74
• TPSA: 55.84 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 11
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	473.73
LogP ≤ 5	6.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (4S)-4-benzyl-3-[(2R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-2-methyl-4-methylidenenonanoyl]-1,3-oxazolidin-2-one?

The IUPAC name of (4S)-4-benzyl-3-[(2R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-2-methyl-4-methylidenenonanoyl]-1,3-oxazolidin-2-one (CID 71567164) is (4S)-4-benzyl-3-[(2R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-2-methyl-4-methylidenenonanoyl]-1,3-oxazolidin-2-one.

What is the SMILES notation for (4S)-4-benzyl-3-[(2R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-2-methyl-4-methylidenenonanoyl]-1,3-oxazolidin-2-one?

The canonical SMILES for (4S)-4-benzyl-3-[(2R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-2-methyl-4-methylidenenonanoyl]-1,3-oxazolidin-2-one is C=C(C[C@@H](CCC)O[Si](C)(C)C(C)(C)C)C[C@@H](C)C(=O)N1C(=O)OC[C@@H]1Cc1ccccc1.

What is the InChIKey of (4S)-4-benzyl-3-[(2R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-2-methyl-4-methylidenenonanoyl]-1,3-oxazolidin-2-one?

The InChIKey is LBANLSLYDXEMFX-YFNKSVMNSA-N. The full InChI is InChI=1S/C27H43NO4Si/c1-9-13-24(32-33(7,8)27(4,5)6)17-20(2)16-21(3)25(29)28-23(19-31-26(28)30)18-22-14-11-10-12-15-22/h10-12,14-15,21,23-24H,2,9,13,16-19H2,1,3-8H3/t21-,23+,24-/m1/s1.

What are the key properties of (4S)-4-benzyl-3-[(2R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-2-methyl-4-methylidenenonanoyl]-1,3-oxazolidin-2-one?

(4S)-4-benzyl-3-[(2R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-2-methyl-4-methylidenenonanoyl]-1,3-oxazolidin-2-one has a molecular weight of 473.73 g/mol, XLogP of 6.74, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (4S)-4-benzyl-3-[(2R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-2-methyl-4-methylidenenonanoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 71567164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).