tert-butyl (4S)-2,2-dimethyl-4-[(E,1S)-3-phenyl-2-trimethylsilyl-1-tri(propan-2-yl)silyloxyprop-2-enyl]-1,3-oxazolidine-3-carboxylate

C31H55NO4Si2 — CID 101489630

About tert-butyl (4S)-2,2-dimethyl-4-[(E,1S)-3-phenyl-2-trimethylsilyl-1-tri(propan-2-yl)silyloxyprop-2-enyl]-1,3-oxazolidine-3-carboxylate

tert-butyl (4S)-2,2-dimethyl-4-[(E,1S)-3-phenyl-2-trimethylsilyl-1-tri(propan-2-yl)silyloxyprop-2-enyl]-1,3-oxazolidine-3-carboxylate (PubChem CID 101489630) has the molecular formula C31H55NO4Si2 and a molecular weight of 561.96 g/mol. Its IUPAC name is tert-butyl (4S)-2,2-dimethyl-4-[(E,1S)-3-phenyl-2-trimethylsilyl-1-tri(propan-2-yl)silyloxyprop-2-enyl]-1,3-oxazolidine-3-carboxylate.

Molecular Properties

• Compound Name: tert-butyl (4S)-2,2-dimethyl-4-[(E,1S)-3-phenyl-2-trimethylsilyl-1-tri(propan-2-yl)silyloxyprop-2-enyl]-1,3-oxazolidine-3-carboxylate
• PubChem CID: 101489630
• Molecular Formula: C31H55NO4Si2
• Molecular Weight: 561.96 g/mol
• Exact Mass: 561.37
• IUPAC Name: tert-butyl (4S)-2,2-dimethyl-4-[(E,1S)-3-phenyl-2-trimethylsilyl-1-tri(propan-2-yl)silyloxyprop-2-enyl]-1,3-oxazolidine-3-carboxylate
• SMILES: CC(C)[Si](O[C@H](/C(=C\c1ccccc1)[Si](C)(C)C)[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C)(C(C)C)C(C)C
• InChI: InChI=1S/C31H55NO4Si2/c1-22(2)38(23(3)4,24(5)6)36-28(27(37(12,13)14)20-25-18-16-15-17-19-25)26-21-34-31(10,11)32(26)29(33)35-30(7,8)9/h15-20,22-24,26,28H,21H2,1-14H3/b27-20+/t26-,28-/m0/s1
• InChIKey: LNLIEGLTWZAKFT-MRYIAUIOSA-N
• XLogP: 8.88
• TPSA: 48.00 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	561.96
LogP ≤ 5	8.88
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl (4S)-2,2-dimethyl-4-[(E,1S)-3-phenyl-2-trimethylsilyl-1-tri(propan-2-yl)silyloxyprop-2-enyl]-1,3-oxazolidine-3-carboxylate?

The IUPAC name of tert-butyl (4S)-2,2-dimethyl-4-[(E,1S)-3-phenyl-2-trimethylsilyl-1-tri(propan-2-yl)silyloxyprop-2-enyl]-1,3-oxazolidine-3-carboxylate (CID 101489630) is tert-butyl (4S)-2,2-dimethyl-4-[(E,1S)-3-phenyl-2-trimethylsilyl-1-tri(propan-2-yl)silyloxyprop-2-enyl]-1,3-oxazolidine-3-carboxylate.

What is the SMILES notation for tert-butyl (4S)-2,2-dimethyl-4-[(E,1S)-3-phenyl-2-trimethylsilyl-1-tri(propan-2-yl)silyloxyprop-2-enyl]-1,3-oxazolidine-3-carboxylate?

The canonical SMILES for tert-butyl (4S)-2,2-dimethyl-4-[(E,1S)-3-phenyl-2-trimethylsilyl-1-tri(propan-2-yl)silyloxyprop-2-enyl]-1,3-oxazolidine-3-carboxylate is CC(C)[Si](O[C@H](/C(=C\c1ccccc1)[Si](C)(C)C)[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C)(C(C)C)C(C)C.

What is the InChIKey of tert-butyl (4S)-2,2-dimethyl-4-[(E,1S)-3-phenyl-2-trimethylsilyl-1-tri(propan-2-yl)silyloxyprop-2-enyl]-1,3-oxazolidine-3-carboxylate?

The InChIKey is LNLIEGLTWZAKFT-MRYIAUIOSA-N. The full InChI is InChI=1S/C31H55NO4Si2/c1-22(2)38(23(3)4,24(5)6)36-28(27(37(12,13)14)20-25-18-16-15-17-19-25)26-21-34-31(10,11)32(26)29(33)35-30(7,8)9/h15-20,22-24,26,28H,21H2,1-14H3/b27-20+/t26-,28-/m0/s1.

What are the key properties of tert-butyl (4S)-2,2-dimethyl-4-[(E,1S)-3-phenyl-2-trimethylsilyl-1-tri(propan-2-yl)silyloxyprop-2-enyl]-1,3-oxazolidine-3-carboxylate?

tert-butyl (4S)-2,2-dimethyl-4-[(E,1S)-3-phenyl-2-trimethylsilyl-1-tri(propan-2-yl)silyloxyprop-2-enyl]-1,3-oxazolidine-3-carboxylate has a molecular weight of 561.96 g/mol, XLogP of 8.88, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl (4S)-2,2-dimethyl-4-[(E,1S)-3-phenyl-2-trimethylsilyl-1-tri(propan-2-yl)silyloxyprop-2-enyl]-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 101489630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).