benzyl (2S,3R)-6-[tert-butyl(dimethyl)silyl]oxy-2,3-diphenyl-2,3-dihydro-1,4-oxazine-4-carboxylate

C30H35NO4Si — CID 11954744

About benzyl (2S,3R)-6-[tert-butyl(dimethyl)silyl]oxy-2,3-diphenyl-2,3-dihydro-1,4-oxazine-4-carboxylate

benzyl (2S,3R)-6-[tert-butyl(dimethyl)silyl]oxy-2,3-diphenyl-2,3-dihydro-1,4-oxazine-4-carboxylate (PubChem CID 11954744) has the molecular formula C30H35NO4Si and a molecular weight of 501.70 g/mol. Its IUPAC name is benzyl (2S,3R)-6-[tert-butyl(dimethyl)silyl]oxy-2,3-diphenyl-2,3-dihydro-1,4-oxazine-4-carboxylate.

Molecular Properties

• Compound Name: benzyl (2S,3R)-6-[tert-butyl(dimethyl)silyl]oxy-2,3-diphenyl-2,3-dihydro-1,4-oxazine-4-carboxylate
• PubChem CID: 11954744
• Molecular Formula: C30H35NO4Si
• Molecular Weight: 501.70 g/mol
• Exact Mass: 501.23
• IUPAC Name: benzyl (2S,3R)-6-[tert-butyl(dimethyl)silyl]oxy-2,3-diphenyl-2,3-dihydro-1,4-oxazine-4-carboxylate
• SMILES: CC(C)(C)[Si](C)(C)OC1=CN(C(=O)OCc2ccccc2)[C@H](c2ccccc2)[C@H](c2ccccc2)O1
• InChI: InChI=1S/C30H35NO4Si/c1-30(2,3)36(4,5)35-26-21-31(29(32)33-22-23-15-9-6-10-16-23)27(24-17-11-7-12-18-24)28(34-26)25-19-13-8-14-20-25/h6-21,27-28H,22H2,1-5H3/t27-,28+/m1/s1
• InChIKey: DVAGRXGPDIUXDU-IZLXSDGUSA-N
• XLogP: 7.96
• TPSA: 48.00 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	501.70
LogP ≤ 5	7.96
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 benzyl (2S,3R)-6-[tert-butyl(dimethyl)silyl]oxy-2,3-diphenyl-2,3-dihydro-1,4-oxazine-4-carboxylate?

The IUPAC name of benzyl (2S,3R)-6-[tert-butyl(dimethyl)silyl]oxy-2,3-diphenyl-2,3-dihydro-1,4-oxazine-4-carboxylate (CID 11954744) is benzyl (2S,3R)-6-[tert-butyl(dimethyl)silyl]oxy-2,3-diphenyl-2,3-dihydro-1,4-oxazine-4-carboxylate.

What is the SMILES notation for benzyl (2S,3R)-6-[tert-butyl(dimethyl)silyl]oxy-2,3-diphenyl-2,3-dihydro-1,4-oxazine-4-carboxylate?

The canonical SMILES for benzyl (2S,3R)-6-[tert-butyl(dimethyl)silyl]oxy-2,3-diphenyl-2,3-dihydro-1,4-oxazine-4-carboxylate is CC(C)(C)[Si](C)(C)OC1=CN(C(=O)OCc2ccccc2)[C@H](c2ccccc2)[C@H](c2ccccc2)O1.

What is the InChIKey of benzyl (2S,3R)-6-[tert-butyl(dimethyl)silyl]oxy-2,3-diphenyl-2,3-dihydro-1,4-oxazine-4-carboxylate?

The InChIKey is DVAGRXGPDIUXDU-IZLXSDGUSA-N. The full InChI is InChI=1S/C30H35NO4Si/c1-30(2,3)36(4,5)35-26-21-31(29(32)33-22-23-15-9-6-10-16-23)27(24-17-11-7-12-18-24)28(34-26)25-19-13-8-14-20-25/h6-21,27-28H,22H2,1-5H3/t27-,28+/m1/s1.

What are the key properties of benzyl (2S,3R)-6-[tert-butyl(dimethyl)silyl]oxy-2,3-diphenyl-2,3-dihydro-1,4-oxazine-4-carboxylate?

benzyl (2S,3R)-6-[tert-butyl(dimethyl)silyl]oxy-2,3-diphenyl-2,3-dihydro-1,4-oxazine-4-carboxylate has a molecular weight of 501.70 g/mol, XLogP of 7.96, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for benzyl (2S,3R)-6-[tert-butyl(dimethyl)silyl]oxy-2,3-diphenyl-2,3-dihydro-1,4-oxazine-4-carboxylate is sourced from PubChem (CID 11954744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).