(4S)-3-[(3R)-6-[tert-butyl(dimethyl)silyl]oxy-3-ethenyl-3-methylhexanoyl]-4-phenyl-1,3-oxazolidin-2-one

C24H37NO4Si — CID 135022738

About (4S)-3-[(3R)-6-[tert-butyl(dimethyl)silyl]oxy-3-ethenyl-3-methylhexanoyl]-4-phenyl-1,3-oxazolidin-2-one

(4S)-3-[(3R)-6-[tert-butyl(dimethyl)silyl]oxy-3-ethenyl-3-methylhexanoyl]-4-phenyl-1,3-oxazolidin-2-one (PubChem CID 135022738) has the molecular formula C24H37NO4Si and a molecular weight of 431.65 g/mol. Its IUPAC name is (4S)-3-[(3R)-6-[tert-butyl(dimethyl)silyl]oxy-3-ethenyl-3-methylhexanoyl]-4-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: (4S)-3-[(3R)-6-[tert-butyl(dimethyl)silyl]oxy-3-ethenyl-3-methylhexanoyl]-4-phenyl-1,3-oxazolidin-2-one
• PubChem CID: 135022738
• Molecular Formula: C24H37NO4Si
• Molecular Weight: 431.65 g/mol
• Exact Mass: 431.25
• IUPAC Name: (4S)-3-[(3R)-6-[tert-butyl(dimethyl)silyl]oxy-3-ethenyl-3-methylhexanoyl]-4-phenyl-1,3-oxazolidin-2-one
• SMILES: C=C[C@](C)(CCCO[Si](C)(C)C(C)(C)C)CC(=O)N1C(=O)OC[C@@H]1c1ccccc1
• InChI: InChI=1S/C24H37NO4Si/c1-8-24(5,15-12-16-29-30(6,7)23(2,3)4)17-21(26)25-20(18-28-22(25)27)19-13-10-9-11-14-19/h8-11,13-14,20H,1,12,15-18H2,2-7H3/t20-,24-/m1/s1
• InChIKey: DBPKVFAZZLDGQO-HYBUGGRVSA-N
• XLogP: 6.09
• TPSA: 55.84 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	431.65
LogP ≤ 5	6.09
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of (4S)-3-[(3R)-6-[tert-butyl(dimethyl)silyl]oxy-3-ethenyl-3-methylhexanoyl]-4-phenyl-1,3-oxazolidin-2-one (CID 135022738) is (4S)-3-[(3R)-6-[tert-butyl(dimethyl)silyl]oxy-3-ethenyl-3-methylhexanoyl]-4-phenyl-1,3-oxazolidin-2-one.

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

The canonical SMILES for (4S)-3-[(3R)-6-[tert-butyl(dimethyl)silyl]oxy-3-ethenyl-3-methylhexanoyl]-4-phenyl-1,3-oxazolidin-2-one is C=C[C@](C)(CCCO[Si](C)(C)C(C)(C)C)CC(=O)N1C(=O)OC[C@@H]1c1ccccc1.

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

The InChIKey is DBPKVFAZZLDGQO-HYBUGGRVSA-N. The full InChI is InChI=1S/C24H37NO4Si/c1-8-24(5,15-12-16-29-30(6,7)23(2,3)4)17-21(26)25-20(18-28-22(25)27)19-13-10-9-11-14-19/h8-11,13-14,20H,1,12,15-18H2,2-7H3/t20-,24-/m1/s1.

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

(4S)-3-[(3R)-6-[tert-butyl(dimethyl)silyl]oxy-3-ethenyl-3-methylhexanoyl]-4-phenyl-1,3-oxazolidin-2-one has a molecular weight of 431.65 g/mol, XLogP of 6.09, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (4S)-3-[(3R)-6-[tert-butyl(dimethyl)silyl]oxy-3-ethenyl-3-methylhexanoyl]-4-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 135022738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).