tert-butyl-[1-[2-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]-3-iodo-5-(oxan-2-yloxy)pent-3-enoxy]-diphenylsilane

C36H55IO4Si2 — CID 139619866

About tert-butyl-[1-[2-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]-3-iodo-5-(oxan-2-yloxy)pent-3-enoxy]-diphenylsilane

tert-butyl-[1-[2-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]-3-iodo-5-(oxan-2-yloxy)pent-3-enoxy]-diphenylsilane (PubChem CID 139619866) has the molecular formula C36H55IO4Si2 and a molecular weight of 734.91 g/mol. Its IUPAC name is tert-butyl-[1-[2-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]-3-iodo-5-(oxan-2-yloxy)pent-3-enoxy]-diphenylsilane.

Molecular Properties

• Compound Name: tert-butyl-[1-[2-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]-3-iodo-5-(oxan-2-yloxy)pent-3-enoxy]-diphenylsilane
• PubChem CID: 139619866
• Molecular Formula: C36H55IO4Si2
• Molecular Weight: 734.91 g/mol
• Exact Mass: 734.27
• IUPAC Name: tert-butyl-[1-[2-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]-3-iodo-5-(oxan-2-yloxy)pent-3-enoxy]-diphenylsilane
• SMILES: C=CC(CC(CC(I)=CCOC1CCCCO1)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C36H55IO4Si2/c1-10-30(40-42(8,9)35(2,3)4)28-31(27-29(37)24-26-39-34-23-17-18-25-38-34)41-43(36(5,6)7,32-19-13-11-14-20-32)33-21-15-12-16-22-33/h10-16,19-22,24,30-31,34H,1,17-18,23,25-28H2,2-9H3
• InChIKey: ZLLMOXJEAYHAAX-UHFFFAOYSA-N
• XLogP: 9.15
• TPSA: 36.92 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 14
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	734.91
LogP ≤ 5	9.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[1-[2-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]-3-iodo-5-(oxan-2-yloxy)pent-3-enoxy]-diphenylsilane?

The IUPAC name of tert-butyl-[1-[2-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]-3-iodo-5-(oxan-2-yloxy)pent-3-enoxy]-diphenylsilane (CID 139619866) is tert-butyl-[1-[2-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]-3-iodo-5-(oxan-2-yloxy)pent-3-enoxy]-diphenylsilane.

What is the SMILES notation for tert-butyl-[1-[2-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]-3-iodo-5-(oxan-2-yloxy)pent-3-enoxy]-diphenylsilane?

The canonical SMILES for tert-butyl-[1-[2-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]-3-iodo-5-(oxan-2-yloxy)pent-3-enoxy]-diphenylsilane is C=CC(CC(CC(I)=CCOC1CCCCO1)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)O[Si](C)(C)C(C)(C)C.

What is the InChIKey of tert-butyl-[1-[2-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]-3-iodo-5-(oxan-2-yloxy)pent-3-enoxy]-diphenylsilane?

The InChIKey is ZLLMOXJEAYHAAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H55IO4Si2/c1-10-30(40-42(8,9)35(2,3)4)28-31(27-29(37)24-26-39-34-23-17-18-25-38-34)41-43(36(5,6)7,32-19-13-11-14-20-32)33-21-15-12-16-22-33/h10-16,19-22,24,30-31,34H,1,17-18,23,25-28H2,2-9H3.

What are the key properties of tert-butyl-[1-[2-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]-3-iodo-5-(oxan-2-yloxy)pent-3-enoxy]-diphenylsilane?

tert-butyl-[1-[2-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]-3-iodo-5-(oxan-2-yloxy)pent-3-enoxy]-diphenylsilane has a molecular weight of 734.91 g/mol, XLogP of 9.15, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-[1-[2-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]-3-iodo-5-(oxan-2-yloxy)pent-3-enoxy]-diphenylsilane is sourced from PubChem (CID 139619866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).