[1-[(1R,2S)-2-azido-4-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopent-3-en-1-yl]-2-methylpropan-2-yl]-hydroxy-dimethylsilane

C28H41N3O2Si2 — CID 71199495

About [1-[(1R,2S)-2-azido-4-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopent-3-en-1-yl]-2-methylpropan-2-yl]-hydroxy-dimethylsilane

[1-[(1R,2S)-2-azido-4-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopent-3-en-1-yl]-2-methylpropan-2-yl]-hydroxy-dimethylsilane (PubChem CID 71199495) has the molecular formula C28H41N3O2Si2 and a molecular weight of 507.83 g/mol. Its IUPAC name is [1-[(1R,2S)-2-azido-4-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopent-3-en-1-yl]-2-methylpropan-2-yl]-hydroxy-dimethylsilane.

Molecular Properties

• Compound Name: [1-[(1R,2S)-2-azido-4-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopent-3-en-1-yl]-2-methylpropan-2-yl]-hydroxy-dimethylsilane
• PubChem CID: 71199495
• Molecular Formula: C28H41N3O2Si2
• Molecular Weight: 507.83 g/mol
• Exact Mass: 507.27
• IUPAC Name: [1-[(1R,2S)-2-azido-4-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopent-3-en-1-yl]-2-methylpropan-2-yl]-hydroxy-dimethylsilane
• SMILES: CC(C)(C[C@H]1CC(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)=C[C@H]1N=[N+]=[N-])[Si](C)(C)O
• InChI: InChI=1S/C28H41N3O2Si2/c1-27(2,3)35(24-14-10-8-11-15-24,25-16-12-9-13-17-25)33-21-22-18-23(26(19-22)30-31-29)20-28(4,5)34(6,7)32/h8-17,19,23,26,32H,18,20-21H2,1-7H3/t23-,26-/m1/s1
• InChIKey: IDOXJURUUNJPHH-ZEQKJWHPSA-N
• XLogP: 6.56
• TPSA: 78.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	507.83
LogP ≤ 5	6.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [1-[(1R,2S)-2-azido-4-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopent-3-en-1-yl]-2-methylpropan-2-yl]-hydroxy-dimethylsilane?

The IUPAC name of [1-[(1R,2S)-2-azido-4-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopent-3-en-1-yl]-2-methylpropan-2-yl]-hydroxy-dimethylsilane (CID 71199495) is [1-[(1R,2S)-2-azido-4-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopent-3-en-1-yl]-2-methylpropan-2-yl]-hydroxy-dimethylsilane.

What is the SMILES notation for [1-[(1R,2S)-2-azido-4-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopent-3-en-1-yl]-2-methylpropan-2-yl]-hydroxy-dimethylsilane?

The canonical SMILES for [1-[(1R,2S)-2-azido-4-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopent-3-en-1-yl]-2-methylpropan-2-yl]-hydroxy-dimethylsilane is CC(C)(C[C@H]1CC(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)=C[C@H]1N=[N+]=[N-])[Si](C)(C)O.

What is the InChIKey of [1-[(1R,2S)-2-azido-4-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopent-3-en-1-yl]-2-methylpropan-2-yl]-hydroxy-dimethylsilane?

The InChIKey is IDOXJURUUNJPHH-ZEQKJWHPSA-N. The full InChI is InChI=1S/C28H41N3O2Si2/c1-27(2,3)35(24-14-10-8-11-15-24,25-16-12-9-13-17-25)33-21-22-18-23(26(19-22)30-31-29)20-28(4,5)34(6,7)32/h8-17,19,23,26,32H,18,20-21H2,1-7H3/t23-,26-/m1/s1.

What are the key properties of [1-[(1R,2S)-2-azido-4-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopent-3-en-1-yl]-2-methylpropan-2-yl]-hydroxy-dimethylsilane?

[1-[(1R,2S)-2-azido-4-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopent-3-en-1-yl]-2-methylpropan-2-yl]-hydroxy-dimethylsilane has a molecular weight of 507.83 g/mol, XLogP of 6.56, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[(1R,2S)-2-azido-4-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopent-3-en-1-yl]-2-methylpropan-2-yl]-hydroxy-dimethylsilane is sourced from PubChem (CID 71199495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).