(2S)-4-[tert-butyl(diphenyl)silyl]oxy-1-[4-(2-tert-butyl-1-methylimidazol-4-yl)phenyl]butan-2-ol

C34H44N2O2Si — CID 58970284

About (2S)-4-[tert-butyl(diphenyl)silyl]oxy-1-[4-(2-tert-butyl-1-methylimidazol-4-yl)phenyl]butan-2-ol

(2S)-4-[tert-butyl(diphenyl)silyl]oxy-1-[4-(2-tert-butyl-1-methylimidazol-4-yl)phenyl]butan-2-ol (PubChem CID 58970284) has the molecular formula C34H44N2O2Si and a molecular weight of 540.82 g/mol. Its IUPAC name is (2S)-4-[tert-butyl(diphenyl)silyl]oxy-1-[4-(2-tert-butyl-1-methylimidazol-4-yl)phenyl]butan-2-ol.

Molecular Properties

• Compound Name: (2S)-4-[tert-butyl(diphenyl)silyl]oxy-1-[4-(2-tert-butyl-1-methylimidazol-4-yl)phenyl]butan-2-ol
• PubChem CID: 58970284
• Molecular Formula: C34H44N2O2Si
• Molecular Weight: 540.82 g/mol
• Exact Mass: 540.32
• IUPAC Name: (2S)-4-[tert-butyl(diphenyl)silyl]oxy-1-[4-(2-tert-butyl-1-methylimidazol-4-yl)phenyl]butan-2-ol
• SMILES: Cn1cc(-c2ccc(C[C@H](O)CCO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)cc2)nc1C(C)(C)C
• InChI: InChI=1S/C34H44N2O2Si/c1-33(2,3)32-35-31(25-36(32)7)27-20-18-26(19-21-27)24-28(37)22-23-38-39(34(4,5)6,29-14-10-8-11-15-29)30-16-12-9-13-17-30/h8-21,25,28,37H,22-24H2,1-7H3/t28-/m1/s1
• InChIKey: ZZMIMAJPLOHMDH-MUUNZHRXSA-N
• XLogP: 6.25
• TPSA: 47.28 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	540.82
LogP ≤ 5	6.25
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 (2S)-4-[tert-butyl(diphenyl)silyl]oxy-1-[4-(2-tert-butyl-1-methylimidazol-4-yl)phenyl]butan-2-ol?

The IUPAC name of (2S)-4-[tert-butyl(diphenyl)silyl]oxy-1-[4-(2-tert-butyl-1-methylimidazol-4-yl)phenyl]butan-2-ol (CID 58970284) is (2S)-4-[tert-butyl(diphenyl)silyl]oxy-1-[4-(2-tert-butyl-1-methylimidazol-4-yl)phenyl]butan-2-ol.

What is the SMILES notation for (2S)-4-[tert-butyl(diphenyl)silyl]oxy-1-[4-(2-tert-butyl-1-methylimidazol-4-yl)phenyl]butan-2-ol?

The canonical SMILES for (2S)-4-[tert-butyl(diphenyl)silyl]oxy-1-[4-(2-tert-butyl-1-methylimidazol-4-yl)phenyl]butan-2-ol is Cn1cc(-c2ccc(C[C@H](O)CCO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)cc2)nc1C(C)(C)C.

What is the InChIKey of (2S)-4-[tert-butyl(diphenyl)silyl]oxy-1-[4-(2-tert-butyl-1-methylimidazol-4-yl)phenyl]butan-2-ol?

The InChIKey is ZZMIMAJPLOHMDH-MUUNZHRXSA-N. The full InChI is InChI=1S/C34H44N2O2Si/c1-33(2,3)32-35-31(25-36(32)7)27-20-18-26(19-21-27)24-28(37)22-23-38-39(34(4,5)6,29-14-10-8-11-15-29)30-16-12-9-13-17-30/h8-21,25,28,37H,22-24H2,1-7H3/t28-/m1/s1.

What are the key properties of (2S)-4-[tert-butyl(diphenyl)silyl]oxy-1-[4-(2-tert-butyl-1-methylimidazol-4-yl)phenyl]butan-2-ol?

(2S)-4-[tert-butyl(diphenyl)silyl]oxy-1-[4-(2-tert-butyl-1-methylimidazol-4-yl)phenyl]butan-2-ol has a molecular weight of 540.82 g/mol, XLogP of 6.25, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-4-[tert-butyl(diphenyl)silyl]oxy-1-[4-(2-tert-butyl-1-methylimidazol-4-yl)phenyl]butan-2-ol is sourced from PubChem (CID 58970284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).