tert-butyl N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]propan-2-yl]carbamate

C26H49NO4Si2 — CID 12038429

About tert-butyl N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]propan-2-yl]carbamate

tert-butyl N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]propan-2-yl]carbamate (PubChem CID 12038429) has the molecular formula C26H49NO4Si2 and a molecular weight of 495.85 g/mol. Its IUPAC name is tert-butyl N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]propan-2-yl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]propan-2-yl]carbamate
• PubChem CID: 12038429
• Molecular Formula: C26H49NO4Si2
• Molecular Weight: 495.85 g/mol
• Exact Mass: 495.32
• IUPAC Name: tert-butyl N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]propan-2-yl]carbamate
• SMILES: CC(C)(C)OC(=O)N[C@H](CO[Si](C)(C)C(C)(C)C)Cc1ccc(O[Si](C)(C)C(C)(C)C)cc1
• InChI: InChI=1S/C26H49NO4Si2/c1-24(2,3)30-23(28)27-21(19-29-32(10,11)25(4,5)6)18-20-14-16-22(17-15-20)31-33(12,13)26(7,8)9/h14-17,21H,18-19H2,1-13H3,(H,27,28)/t21-/m0/s1
• InChIKey: PMCSZTOAGKSMAV-NRFANRHFSA-N
• XLogP: 7.53
• TPSA: 56.79 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	495.85
LogP ≤ 5	7.53
H-Bond Donors ≤ 5	1
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 N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]propan-2-yl]carbamate?

The IUPAC name of tert-butyl N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]propan-2-yl]carbamate (CID 12038429) is tert-butyl N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]propan-2-yl]carbamate.

What is the SMILES notation for tert-butyl N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]propan-2-yl]carbamate?

The canonical SMILES for tert-butyl N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]propan-2-yl]carbamate is CC(C)(C)OC(=O)N[C@H](CO[Si](C)(C)C(C)(C)C)Cc1ccc(O[Si](C)(C)C(C)(C)C)cc1.

What is the InChIKey of tert-butyl N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]propan-2-yl]carbamate?

The InChIKey is PMCSZTOAGKSMAV-NRFANRHFSA-N. The full InChI is InChI=1S/C26H49NO4Si2/c1-24(2,3)30-23(28)27-21(19-29-32(10,11)25(4,5)6)18-20-14-16-22(17-15-20)31-33(12,13)26(7,8)9/h14-17,21H,18-19H2,1-13H3,(H,27,28)/t21-/m0/s1.

What are the key properties of tert-butyl N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]propan-2-yl]carbamate?

tert-butyl N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]propan-2-yl]carbamate has a molecular weight of 495.85 g/mol, XLogP of 7.53, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]propan-2-yl]carbamate is sourced from PubChem (CID 12038429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).