(4S)-3-[(4R)-4-hydroxy-4-phenyl-3-trimethylsilylbuta-1,2-dienyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one

C31H35NO3Si — CID 11179509

About (4S)-3-[(4R)-4-hydroxy-4-phenyl-3-trimethylsilylbuta-1,2-dienyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one

(4S)-3-[(4R)-4-hydroxy-4-phenyl-3-trimethylsilylbuta-1,2-dienyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 11179509) has the molecular formula C31H35NO3Si and a molecular weight of 497.71 g/mol. Its IUPAC name is (4S)-3-[(4R)-4-hydroxy-4-phenyl-3-trimethylsilylbuta-1,2-dienyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: (4S)-3-[(4R)-4-hydroxy-4-phenyl-3-trimethylsilylbuta-1,2-dienyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one
• PubChem CID: 11179509
• Molecular Formula: C31H35NO3Si
• Molecular Weight: 497.71 g/mol
• Exact Mass: 497.24
• IUPAC Name: (4S)-3-[(4R)-4-hydroxy-4-phenyl-3-trimethylsilylbuta-1,2-dienyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one
• SMILES: CC(C)[C@@H]1N(C=C=C([C@H](O)c2ccccc2)[Si](C)(C)C)C(=O)OC1(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C31H35NO3Si/c1-23(2)29-31(25-17-11-7-12-18-25,26-19-13-8-14-20-26)35-30(34)32(29)22-21-27(36(3,4)5)28(33)24-15-9-6-10-16-24/h6-20,22-23,28-29,33H,1-5H3/t21?,28-,29+/m1/s1
• InChIKey: KUDPATDPOSSJLR-YOZFVKLBSA-N
• XLogP: 7.06
• TPSA: 49.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	497.71
LogP ≤ 5	7.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (4S)-3-[(4R)-4-hydroxy-4-phenyl-3-trimethylsilylbuta-1,2-dienyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one?

The IUPAC name of (4S)-3-[(4R)-4-hydroxy-4-phenyl-3-trimethylsilylbuta-1,2-dienyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one (CID 11179509) is (4S)-3-[(4R)-4-hydroxy-4-phenyl-3-trimethylsilylbuta-1,2-dienyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one.

What is the SMILES notation for (4S)-3-[(4R)-4-hydroxy-4-phenyl-3-trimethylsilylbuta-1,2-dienyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one?

The canonical SMILES for (4S)-3-[(4R)-4-hydroxy-4-phenyl-3-trimethylsilylbuta-1,2-dienyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one is CC(C)[C@@H]1N(C=C=C([C@H](O)c2ccccc2)[Si](C)(C)C)C(=O)OC1(c1ccccc1)c1ccccc1.

What is the InChIKey of (4S)-3-[(4R)-4-hydroxy-4-phenyl-3-trimethylsilylbuta-1,2-dienyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one?

The InChIKey is KUDPATDPOSSJLR-YOZFVKLBSA-N. The full InChI is InChI=1S/C31H35NO3Si/c1-23(2)29-31(25-17-11-7-12-18-25,26-19-13-8-14-20-26)35-30(34)32(29)22-21-27(36(3,4)5)28(33)24-15-9-6-10-16-24/h6-20,22-23,28-29,33H,1-5H3/t21?,28-,29+/m1/s1.

What are the key properties of (4S)-3-[(4R)-4-hydroxy-4-phenyl-3-trimethylsilylbuta-1,2-dienyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one?

(4S)-3-[(4R)-4-hydroxy-4-phenyl-3-trimethylsilylbuta-1,2-dienyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 497.71 g/mol, XLogP of 7.06, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (4S)-3-[(4R)-4-hydroxy-4-phenyl-3-trimethylsilylbuta-1,2-dienyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 11179509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).