[(E)-5-[(4R,5R)-4,5-bis[methoxy(diphenyl)methyl]-1,3,2-dioxaborolan-2-yl]pent-4-enoxy]-tert-butyl-diphenylsilane

C51H55BO5Si — CID 15488684

About [(E)-5-[(4R,5R)-4,5-bis[methoxy(diphenyl)methyl]-1,3,2-dioxaborolan-2-yl]pent-4-enoxy]-tert-butyl-diphenylsilane

[(E)-5-[(4R,5R)-4,5-bis[methoxy(diphenyl)methyl]-1,3,2-dioxaborolan-2-yl]pent-4-enoxy]-tert-butyl-diphenylsilane (PubChem CID 15488684) has the molecular formula C51H55BO5Si and a molecular weight of 786.89 g/mol. Its IUPAC name is [(E)-5-[(4R,5R)-4,5-bis[methoxy(diphenyl)methyl]-1,3,2-dioxaborolan-2-yl]pent-4-enoxy]-tert-butyl-diphenylsilane.

Molecular Properties

• Compound Name: [(E)-5-[(4R,5R)-4,5-bis[methoxy(diphenyl)methyl]-1,3,2-dioxaborolan-2-yl]pent-4-enoxy]-tert-butyl-diphenylsilane
• PubChem CID: 15488684
• Molecular Formula: C51H55BO5Si
• Molecular Weight: 786.89 g/mol
• Exact Mass: 786.39
• IUPAC Name: [(E)-5-[(4R,5R)-4,5-bis[methoxy(diphenyl)methyl]-1,3,2-dioxaborolan-2-yl]pent-4-enoxy]-tert-butyl-diphenylsilane
• SMILES: COC(c1ccccc1)(c1ccccc1)[C@@H]1OB(/C=C/CCCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O[C@H]1C(OC)(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C51H55BO5Si/c1-49(2,3)58(45-35-21-10-22-36-45,46-37-23-11-24-38-46)55-40-26-12-25-39-52-56-47(50(53-4,41-27-13-6-14-28-41)42-29-15-7-16-30-42)48(57-52)51(54-5,43-31-17-8-18-32-43)44-33-19-9-20-34-44/h6-11,13-25,27-39,47-48H,12,26,40H2,1-5H3/b39-25+/t47-,48-/m1/s1
• InChIKey: SUZUUUHGILUVDD-JLORCWQJSA-N
• XLogP: 9.89
• TPSA: 46.15 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 16
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	786.89
LogP ≤ 5	9.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(E)-5-[(4R,5R)-4,5-bis[methoxy(diphenyl)methyl]-1,3,2-dioxaborolan-2-yl]pent-4-enoxy]-tert-butyl-diphenylsilane?

The IUPAC name of [(E)-5-[(4R,5R)-4,5-bis[methoxy(diphenyl)methyl]-1,3,2-dioxaborolan-2-yl]pent-4-enoxy]-tert-butyl-diphenylsilane (CID 15488684) is [(E)-5-[(4R,5R)-4,5-bis[methoxy(diphenyl)methyl]-1,3,2-dioxaborolan-2-yl]pent-4-enoxy]-tert-butyl-diphenylsilane.

What is the SMILES notation for [(E)-5-[(4R,5R)-4,5-bis[methoxy(diphenyl)methyl]-1,3,2-dioxaborolan-2-yl]pent-4-enoxy]-tert-butyl-diphenylsilane?

The canonical SMILES for [(E)-5-[(4R,5R)-4,5-bis[methoxy(diphenyl)methyl]-1,3,2-dioxaborolan-2-yl]pent-4-enoxy]-tert-butyl-diphenylsilane is COC(c1ccccc1)(c1ccccc1)[C@@H]1OB(/C=C/CCCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O[C@H]1C(OC)(c1ccccc1)c1ccccc1.

What is the InChIKey of [(E)-5-[(4R,5R)-4,5-bis[methoxy(diphenyl)methyl]-1,3,2-dioxaborolan-2-yl]pent-4-enoxy]-tert-butyl-diphenylsilane?

The InChIKey is SUZUUUHGILUVDD-JLORCWQJSA-N. The full InChI is InChI=1S/C51H55BO5Si/c1-49(2,3)58(45-35-21-10-22-36-45,46-37-23-11-24-38-46)55-40-26-12-25-39-52-56-47(50(53-4,41-27-13-6-14-28-41)42-29-15-7-16-30-42)48(57-52)51(54-5,43-31-17-8-18-32-43)44-33-19-9-20-34-44/h6-11,13-25,27-39,47-48H,12,26,40H2,1-5H3/b39-25+/t47-,48-/m1/s1.

What are the key properties of [(E)-5-[(4R,5R)-4,5-bis[methoxy(diphenyl)methyl]-1,3,2-dioxaborolan-2-yl]pent-4-enoxy]-tert-butyl-diphenylsilane?

[(E)-5-[(4R,5R)-4,5-bis[methoxy(diphenyl)methyl]-1,3,2-dioxaborolan-2-yl]pent-4-enoxy]-tert-butyl-diphenylsilane has a molecular weight of 786.89 g/mol, XLogP of 9.89, 16 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [(E)-5-[(4R,5R)-4,5-bis[methoxy(diphenyl)methyl]-1,3,2-dioxaborolan-2-yl]pent-4-enoxy]-tert-butyl-diphenylsilane is sourced from PubChem (CID 15488684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).