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

C39H47BO5Si — CID 15488685

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

[(E)-3-[(4R,5R)-4,5-bis[methoxy(diphenyl)methyl]-1,3,2-dioxaborolan-2-yl]prop-2-enoxy]-tert-butyl-dimethylsilane (PubChem CID 15488685) has the molecular formula C39H47BO5Si and a molecular weight of 634.70 g/mol. Its IUPAC name is [(E)-3-[(4R,5R)-4,5-bis[methoxy(diphenyl)methyl]-1,3,2-dioxaborolan-2-yl]prop-2-enoxy]-tert-butyl-dimethylsilane.

Molecular Properties

• Compound Name: [(E)-3-[(4R,5R)-4,5-bis[methoxy(diphenyl)methyl]-1,3,2-dioxaborolan-2-yl]prop-2-enoxy]-tert-butyl-dimethylsilane
• PubChem CID: 15488685
• Molecular Formula: C39H47BO5Si
• Molecular Weight: 634.70 g/mol
• Exact Mass: 634.33
• IUPAC Name: [(E)-3-[(4R,5R)-4,5-bis[methoxy(diphenyl)methyl]-1,3,2-dioxaborolan-2-yl]prop-2-enoxy]-tert-butyl-dimethylsilane
• SMILES: COC(c1ccccc1)(c1ccccc1)[C@@H]1OB(/C=C/CO[Si](C)(C)C(C)(C)C)O[C@H]1C(OC)(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C39H47BO5Si/c1-37(2,3)46(6,7)43-30-20-29-40-44-35(38(41-4,31-21-12-8-13-22-31)32-23-14-9-15-24-32)36(45-40)39(42-5,33-25-16-10-17-26-33)34-27-18-11-19-28-34/h8-29,35-36H,30H2,1-7H3/b29-20+/t35-,36-/m1/s1
• InChIKey: FJFKZTRNCAYOHX-CROQJQEWSA-N
• XLogP: 8.56
• TPSA: 46.15 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 12
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	634.70
LogP ≤ 5	8.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of [(E)-3-[(4R,5R)-4,5-bis[methoxy(diphenyl)methyl]-1,3,2-dioxaborolan-2-yl]prop-2-enoxy]-tert-butyl-dimethylsilane (CID 15488685) is [(E)-3-[(4R,5R)-4,5-bis[methoxy(diphenyl)methyl]-1,3,2-dioxaborolan-2-yl]prop-2-enoxy]-tert-butyl-dimethylsilane.

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

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

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

The InChIKey is FJFKZTRNCAYOHX-CROQJQEWSA-N. The full InChI is InChI=1S/C39H47BO5Si/c1-37(2,3)46(6,7)43-30-20-29-40-44-35(38(41-4,31-21-12-8-13-22-31)32-23-14-9-15-24-32)36(45-40)39(42-5,33-25-16-10-17-26-33)34-27-18-11-19-28-34/h8-29,35-36H,30H2,1-7H3/b29-20+/t35-,36-/m1/s1.

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

[(E)-3-[(4R,5R)-4,5-bis[methoxy(diphenyl)methyl]-1,3,2-dioxaborolan-2-yl]prop-2-enoxy]-tert-butyl-dimethylsilane has a molecular weight of 634.70 g/mol, XLogP of 8.56, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [(E)-3-[(4R,5R)-4,5-bis[methoxy(diphenyl)methyl]-1,3,2-dioxaborolan-2-yl]prop-2-enoxy]-tert-butyl-dimethylsilane is sourced from PubChem (CID 15488685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).