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

C28H37NO3Si — CID 101184737

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

(4S)-3-[(4R)-4-hydroxy-3-trimethylsilylhepta-1,2-dienyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 101184737) has the molecular formula C28H37NO3Si and a molecular weight of 463.69 g/mol. Its IUPAC name is (4S)-3-[(4R)-4-hydroxy-3-trimethylsilylhepta-1,2-dienyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: (4S)-3-[(4R)-4-hydroxy-3-trimethylsilylhepta-1,2-dienyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one
• PubChem CID: 101184737
• Molecular Formula: C28H37NO3Si
• Molecular Weight: 463.69 g/mol
• Exact Mass: 463.25
• IUPAC Name: (4S)-3-[(4R)-4-hydroxy-3-trimethylsilylhepta-1,2-dienyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one
• SMILES: CCC[C@@H](O)C(=C=CN1C(=O)OC(c2ccccc2)(c2ccccc2)[C@@H]1C(C)C)[Si](C)(C)C
• InChI: InChI=1S/C28H37NO3Si/c1-7-14-24(30)25(33(4,5)6)19-20-29-26(21(2)3)28(32-27(29)31,22-15-10-8-11-16-22)23-17-12-9-13-18-23/h8-13,15-18,20-21,24,26,30H,7,14H2,1-6H3/t19?,24-,26+/m1/s1
• InChIKey: PIVBLDSXYNPAKL-YMINUMGASA-N
• XLogP: 6.48
• TPSA: 49.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	463.69
LogP ≤ 5	6.48
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-3-trimethylsilylhepta-1,2-dienyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one?

The IUPAC name of (4S)-3-[(4R)-4-hydroxy-3-trimethylsilylhepta-1,2-dienyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one (CID 101184737) is (4S)-3-[(4R)-4-hydroxy-3-trimethylsilylhepta-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-3-trimethylsilylhepta-1,2-dienyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one?

The canonical SMILES for (4S)-3-[(4R)-4-hydroxy-3-trimethylsilylhepta-1,2-dienyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one is CCC[C@@H](O)C(=C=CN1C(=O)OC(c2ccccc2)(c2ccccc2)[C@@H]1C(C)C)[Si](C)(C)C.

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

The InChIKey is PIVBLDSXYNPAKL-YMINUMGASA-N. The full InChI is InChI=1S/C28H37NO3Si/c1-7-14-24(30)25(33(4,5)6)19-20-29-26(21(2)3)28(32-27(29)31,22-15-10-8-11-16-22)23-17-12-9-13-18-23/h8-13,15-18,20-21,24,26,30H,7,14H2,1-6H3/t19?,24-,26+/m1/s1.

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

(4S)-3-[(4R)-4-hydroxy-3-trimethylsilylhepta-1,2-dienyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 463.69 g/mol, XLogP of 6.48, 8 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-3-trimethylsilylhepta-1,2-dienyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 101184737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).