ethyl 2-[tert-butyl(diphenyl)silyl]oxy-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate

C28H41NO5Si — CID 175392713

About ethyl 2-[tert-butyl(diphenyl)silyl]oxy-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate

ethyl 2-[tert-butyl(diphenyl)silyl]oxy-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate (PubChem CID 175392713) has the molecular formula C28H41NO5Si and a molecular weight of 499.72 g/mol. Its IUPAC name is ethyl 2-[tert-butyl(diphenyl)silyl]oxy-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate.

Molecular Properties

• Compound Name: ethyl 2-[tert-butyl(diphenyl)silyl]oxy-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
• PubChem CID: 175392713
• Molecular Formula: C28H41NO5Si
• Molecular Weight: 499.72 g/mol
• Exact Mass: 499.28
• IUPAC Name: ethyl 2-[tert-butyl(diphenyl)silyl]oxy-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
• SMILES: CCOC(=O)C(NC(=O)OC(C)(C)C)(O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(C)C
• InChI: InChI=1S/C28H41NO5Si/c1-10-32-24(30)28(21(2)3,29-25(31)33-26(4,5)6)34-35(27(7,8)9,22-17-13-11-14-18-22)23-19-15-12-16-20-23/h11-21H,10H2,1-9H3,(H,29,31)
• InChIKey: UVMCIZRTNCLLAO-UHFFFAOYSA-N
• XLogP: 5.00
• TPSA: 73.86 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	499.72
LogP ≤ 5	5.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[tert-butyl(diphenyl)silyl]oxy-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate?

The IUPAC name of ethyl 2-[tert-butyl(diphenyl)silyl]oxy-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate (CID 175392713) is ethyl 2-[tert-butyl(diphenyl)silyl]oxy-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate.

What is the SMILES notation for ethyl 2-[tert-butyl(diphenyl)silyl]oxy-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate?

The canonical SMILES for ethyl 2-[tert-butyl(diphenyl)silyl]oxy-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate is CCOC(=O)C(NC(=O)OC(C)(C)C)(O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(C)C.

What is the InChIKey of ethyl 2-[tert-butyl(diphenyl)silyl]oxy-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate?

The InChIKey is UVMCIZRTNCLLAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H41NO5Si/c1-10-32-24(30)28(21(2)3,29-25(31)33-26(4,5)6)34-35(27(7,8)9,22-17-13-11-14-18-22)23-19-15-12-16-20-23/h11-21H,10H2,1-9H3,(H,29,31).

What are the key properties of ethyl 2-[tert-butyl(diphenyl)silyl]oxy-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate?

ethyl 2-[tert-butyl(diphenyl)silyl]oxy-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate has a molecular weight of 499.72 g/mol, XLogP of 5.00, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 2-[tert-butyl(diphenyl)silyl]oxy-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate is sourced from PubChem (CID 175392713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).