tert-butyl-dimethyl-[(7S)-7-phenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)heptoxy]silane

C25H45BO3Si — CID 146167795

About tert-butyl-dimethyl-[(7S)-7-phenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)heptoxy]silane

tert-butyl-dimethyl-[(7S)-7-phenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)heptoxy]silane (PubChem CID 146167795) has the molecular formula C25H45BO3Si and a molecular weight of 432.53 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(7S)-7-phenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)heptoxy]silane.

Molecular Properties

• Compound Name: tert-butyl-dimethyl-[(7S)-7-phenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)heptoxy]silane
• PubChem CID: 146167795
• Molecular Formula: C25H45BO3Si
• Molecular Weight: 432.53 g/mol
• Exact Mass: 432.32
• IUPAC Name: tert-butyl-dimethyl-[(7S)-7-phenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)heptoxy]silane
• SMILES: CC1(C)OB([C@@H](CCCCCCO[Si](C)(C)C(C)(C)C)c2ccccc2)OC1(C)C
• InChI: InChI=1S/C25H45BO3Si/c1-23(2,3)30(8,9)27-20-16-11-10-15-19-22(21-17-13-12-14-18-21)26-28-24(4,5)25(6,7)29-26/h12-14,17-18,22H,10-11,15-16,19-20H2,1-9H3/t22-/m0/s1
• InChIKey: JNUCKYMRPRYYID-QFIPXVFZSA-N
• XLogP: 7.37
• TPSA: 27.69 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 10
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	432.53
LogP ≤ 5	7.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

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 tert-butyl-dimethyl-[(7S)-7-phenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)heptoxy]silane?

The IUPAC name of tert-butyl-dimethyl-[(7S)-7-phenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)heptoxy]silane (CID 146167795) is tert-butyl-dimethyl-[(7S)-7-phenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)heptoxy]silane.

What is the SMILES notation for tert-butyl-dimethyl-[(7S)-7-phenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)heptoxy]silane?

The canonical SMILES for tert-butyl-dimethyl-[(7S)-7-phenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)heptoxy]silane is CC1(C)OB([C@@H](CCCCCCO[Si](C)(C)C(C)(C)C)c2ccccc2)OC1(C)C.

What is the InChIKey of tert-butyl-dimethyl-[(7S)-7-phenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)heptoxy]silane?

The InChIKey is JNUCKYMRPRYYID-QFIPXVFZSA-N. The full InChI is InChI=1S/C25H45BO3Si/c1-23(2,3)30(8,9)27-20-16-11-10-15-19-22(21-17-13-12-14-18-21)26-28-24(4,5)25(6,7)29-26/h12-14,17-18,22H,10-11,15-16,19-20H2,1-9H3/t22-/m0/s1.

What are the key properties of tert-butyl-dimethyl-[(7S)-7-phenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)heptoxy]silane?

tert-butyl-dimethyl-[(7S)-7-phenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)heptoxy]silane has a molecular weight of 432.53 g/mol, XLogP of 7.37, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-dimethyl-[(7S)-7-phenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)heptoxy]silane is sourced from PubChem (CID 146167795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).