[(4R,6S)-4,6-bis[[tert-butyl(diphenyl)silyl]oxy]oct-7-en-1-ynyl]-trimethylsilane

C43H56O2Si3 — CID 139649655

About [(4R,6S)-4,6-bis[[tert-butyl(diphenyl)silyl]oxy]oct-7-en-1-ynyl]-trimethylsilane

[(4R,6S)-4,6-bis[[tert-butyl(diphenyl)silyl]oxy]oct-7-en-1-ynyl]-trimethylsilane (PubChem CID 139649655) has the molecular formula C43H56O2Si3 and a molecular weight of 689.18 g/mol. Its IUPAC name is [(4R,6S)-4,6-bis[[tert-butyl(diphenyl)silyl]oxy]oct-7-en-1-ynyl]-trimethylsilane.

Molecular Properties

• Compound Name: [(4R,6S)-4,6-bis[[tert-butyl(diphenyl)silyl]oxy]oct-7-en-1-ynyl]-trimethylsilane
• PubChem CID: 139649655
• Molecular Formula: C43H56O2Si3
• Molecular Weight: 689.18 g/mol
• Exact Mass: 688.36
• IUPAC Name: [(4R,6S)-4,6-bis[[tert-butyl(diphenyl)silyl]oxy]oct-7-en-1-ynyl]-trimethylsilane
• SMILES: C=C[C@H](C[C@@H](CC#C[Si](C)(C)C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
• InChI: InChI=1S/C43H56O2Si3/c1-11-36(44-47(42(2,3)4,38-26-16-12-17-27-38)39-28-18-13-19-29-39)35-37(25-24-34-46(8,9)10)45-48(43(5,6)7,40-30-20-14-21-31-40)41-32-22-15-23-33-41/h11-23,26-33,36-37H,1,25,35H2,2-10H3/t36-,37-/m1/s1
• InChIKey: XYEUBNOAABQUBC-FZNHDDJXSA-N
• XLogP: 8.72
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 12
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	689.18
LogP ≤ 5	8.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(4R,6S)-4,6-bis[[tert-butyl(diphenyl)silyl]oxy]oct-7-en-1-ynyl]-trimethylsilane?

The IUPAC name of [(4R,6S)-4,6-bis[[tert-butyl(diphenyl)silyl]oxy]oct-7-en-1-ynyl]-trimethylsilane (CID 139649655) is [(4R,6S)-4,6-bis[[tert-butyl(diphenyl)silyl]oxy]oct-7-en-1-ynyl]-trimethylsilane.

What is the SMILES notation for [(4R,6S)-4,6-bis[[tert-butyl(diphenyl)silyl]oxy]oct-7-en-1-ynyl]-trimethylsilane?

The canonical SMILES for [(4R,6S)-4,6-bis[[tert-butyl(diphenyl)silyl]oxy]oct-7-en-1-ynyl]-trimethylsilane is C=C[C@H](C[C@@H](CC#C[Si](C)(C)C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.

What is the InChIKey of [(4R,6S)-4,6-bis[[tert-butyl(diphenyl)silyl]oxy]oct-7-en-1-ynyl]-trimethylsilane?

The InChIKey is XYEUBNOAABQUBC-FZNHDDJXSA-N. The full InChI is InChI=1S/C43H56O2Si3/c1-11-36(44-47(42(2,3)4,38-26-16-12-17-27-38)39-28-18-13-19-29-39)35-37(25-24-34-46(8,9)10)45-48(43(5,6)7,40-30-20-14-21-31-40)41-32-22-15-23-33-41/h11-23,26-33,36-37H,1,25,35H2,2-10H3/t36-,37-/m1/s1.

What are the key properties of [(4R,6S)-4,6-bis[[tert-butyl(diphenyl)silyl]oxy]oct-7-en-1-ynyl]-trimethylsilane?

[(4R,6S)-4,6-bis[[tert-butyl(diphenyl)silyl]oxy]oct-7-en-1-ynyl]-trimethylsilane has a molecular weight of 689.18 g/mol, XLogP of 8.72, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for [(4R,6S)-4,6-bis[[tert-butyl(diphenyl)silyl]oxy]oct-7-en-1-ynyl]-trimethylsilane is sourced from PubChem (CID 139649655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).