benzyl N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-(5-ethylfuran-2-yl)propan-2-yl]-N-prop-2-ynylcarbamate

C26H37NO4Si — CID 134878181

About benzyl N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-(5-ethylfuran-2-yl)propan-2-yl]-N-prop-2-ynylcarbamate

benzyl N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-(5-ethylfuran-2-yl)propan-2-yl]-N-prop-2-ynylcarbamate (PubChem CID 134878181) has the molecular formula C26H37NO4Si and a molecular weight of 455.67 g/mol. Its IUPAC name is benzyl N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-(5-ethylfuran-2-yl)propan-2-yl]-N-prop-2-ynylcarbamate.

Molecular Properties

• Compound Name: benzyl N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-(5-ethylfuran-2-yl)propan-2-yl]-N-prop-2-ynylcarbamate
• PubChem CID: 134878181
• Molecular Formula: C26H37NO4Si
• Molecular Weight: 455.67 g/mol
• Exact Mass: 455.25
• IUPAC Name: benzyl N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-(5-ethylfuran-2-yl)propan-2-yl]-N-prop-2-ynylcarbamate
• SMILES: C#CCN(C(=O)OCc1ccccc1)[C@@H](CO[Si](C)(C)C(C)(C)C)Cc1ccc(CC)o1
• InChI: InChI=1S/C26H37NO4Si/c1-8-17-27(25(28)29-19-21-13-11-10-12-14-21)22(18-24-16-15-23(9-2)31-24)20-30-32(6,7)26(3,4)5/h1,10-16,22H,9,17-20H2,2-7H3/t22-/m1/s1
• InChIKey: GUMBACUZTCJIDN-JOCHJYFZSA-N
• XLogP: 6.05
• TPSA: 51.91 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	455.67
LogP ≤ 5	6.05
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-(5-ethylfuran-2-yl)propan-2-yl]-N-prop-2-ynylcarbamate?

The IUPAC name of benzyl N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-(5-ethylfuran-2-yl)propan-2-yl]-N-prop-2-ynylcarbamate (CID 134878181) is benzyl N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-(5-ethylfuran-2-yl)propan-2-yl]-N-prop-2-ynylcarbamate.

What is the SMILES notation for benzyl N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-(5-ethylfuran-2-yl)propan-2-yl]-N-prop-2-ynylcarbamate?

The canonical SMILES for benzyl N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-(5-ethylfuran-2-yl)propan-2-yl]-N-prop-2-ynylcarbamate is C#CCN(C(=O)OCc1ccccc1)[C@@H](CO[Si](C)(C)C(C)(C)C)Cc1ccc(CC)o1.

What is the InChIKey of benzyl N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-(5-ethylfuran-2-yl)propan-2-yl]-N-prop-2-ynylcarbamate?

The InChIKey is GUMBACUZTCJIDN-JOCHJYFZSA-N. The full InChI is InChI=1S/C26H37NO4Si/c1-8-17-27(25(28)29-19-21-13-11-10-12-14-21)22(18-24-16-15-23(9-2)31-24)20-30-32(6,7)26(3,4)5/h1,10-16,22H,9,17-20H2,2-7H3/t22-/m1/s1.

What are the key properties of benzyl N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-(5-ethylfuran-2-yl)propan-2-yl]-N-prop-2-ynylcarbamate?

benzyl N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-(5-ethylfuran-2-yl)propan-2-yl]-N-prop-2-ynylcarbamate has a molecular weight of 455.67 g/mol, XLogP of 6.05, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for benzyl N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-(5-ethylfuran-2-yl)propan-2-yl]-N-prop-2-ynylcarbamate is sourced from PubChem (CID 134878181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).