(4R)-4-benzyl-3-[(E,2R,3S)-9-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,6-dimethylnon-6-enoyl]-1,3-oxazolidin-2-one

C27H43NO5Si — CID 11283232

About (4R)-4-benzyl-3-[(E,2R,3S)-9-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,6-dimethylnon-6-enoyl]-1,3-oxazolidin-2-one

(4R)-4-benzyl-3-[(E,2R,3S)-9-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,6-dimethylnon-6-enoyl]-1,3-oxazolidin-2-one (PubChem CID 11283232) has the molecular formula C27H43NO5Si and a molecular weight of 489.73 g/mol. Its IUPAC name is (4R)-4-benzyl-3-[(E,2R,3S)-9-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,6-dimethylnon-6-enoyl]-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: (4R)-4-benzyl-3-[(E,2R,3S)-9-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,6-dimethylnon-6-enoyl]-1,3-oxazolidin-2-one
• PubChem CID: 11283232
• Molecular Formula: C27H43NO5Si
• Molecular Weight: 489.73 g/mol
• Exact Mass: 489.29
• IUPAC Name: (4R)-4-benzyl-3-[(E,2R,3S)-9-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,6-dimethylnon-6-enoyl]-1,3-oxazolidin-2-one
• SMILES: C/C(=C\CCO[Si](C)(C)C(C)(C)C)CC[C@H](O)[C@@H](C)C(=O)N1C(=O)OC[C@H]1Cc1ccccc1
• InChI: InChI=1S/C27H43NO5Si/c1-20(12-11-17-33-34(6,7)27(3,4)5)15-16-24(29)21(2)25(30)28-23(19-32-26(28)31)18-22-13-9-8-10-14-22/h8-10,12-14,21,23-24,29H,11,15-19H2,1-7H3/b20-12+/t21-,23-,24+/m1/s1
• InChIKey: LJTCQRSUTCVJSX-CFPSNUBASA-N
• XLogP: 5.71
• TPSA: 76.07 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	489.73
LogP ≤ 5	5.71
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (4R)-4-benzyl-3-[(E,2R,3S)-9-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,6-dimethylnon-6-enoyl]-1,3-oxazolidin-2-one?

The IUPAC name of (4R)-4-benzyl-3-[(E,2R,3S)-9-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,6-dimethylnon-6-enoyl]-1,3-oxazolidin-2-one (CID 11283232) is (4R)-4-benzyl-3-[(E,2R,3S)-9-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,6-dimethylnon-6-enoyl]-1,3-oxazolidin-2-one.

What is the SMILES notation for (4R)-4-benzyl-3-[(E,2R,3S)-9-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,6-dimethylnon-6-enoyl]-1,3-oxazolidin-2-one?

The canonical SMILES for (4R)-4-benzyl-3-[(E,2R,3S)-9-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,6-dimethylnon-6-enoyl]-1,3-oxazolidin-2-one is C/C(=C\CCO[Si](C)(C)C(C)(C)C)CC[C@H](O)[C@@H](C)C(=O)N1C(=O)OC[C@H]1Cc1ccccc1.

What is the InChIKey of (4R)-4-benzyl-3-[(E,2R,3S)-9-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,6-dimethylnon-6-enoyl]-1,3-oxazolidin-2-one?

The InChIKey is LJTCQRSUTCVJSX-CFPSNUBASA-N. The full InChI is InChI=1S/C27H43NO5Si/c1-20(12-11-17-33-34(6,7)27(3,4)5)15-16-24(29)21(2)25(30)28-23(19-32-26(28)31)18-22-13-9-8-10-14-22/h8-10,12-14,21,23-24,29H,11,15-19H2,1-7H3/b20-12+/t21-,23-,24+/m1/s1.

What are the key properties of (4R)-4-benzyl-3-[(E,2R,3S)-9-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,6-dimethylnon-6-enoyl]-1,3-oxazolidin-2-one?

(4R)-4-benzyl-3-[(E,2R,3S)-9-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,6-dimethylnon-6-enoyl]-1,3-oxazolidin-2-one has a molecular weight of 489.73 g/mol, XLogP of 5.71, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-4-benzyl-3-[(E,2R,3S)-9-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,6-dimethylnon-6-enoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 11283232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).