8-[tert-butyl(diphenyl)silyl]oxyoct-5-yn-1-ol;tert-butyl-non-3-ynoxy-diphenylsilane

C49H66O3Si2 — CID 159013919

About 8-[tert-butyl(diphenyl)silyl]oxyoct-5-yn-1-ol;tert-butyl-non-3-ynoxy-diphenylsilane

8-[tert-butyl(diphenyl)silyl]oxyoct-5-yn-1-ol;tert-butyl-non-3-ynoxy-diphenylsilane (PubChem CID 159013919) has the molecular formula C49H66O3Si2 and a molecular weight of 759.24 g/mol. Its IUPAC name is 8-[tert-butyl(diphenyl)silyl]oxyoct-5-yn-1-ol;tert-butyl-non-3-ynoxy-diphenylsilane.

Molecular Properties

• Compound Name: 8-[tert-butyl(diphenyl)silyl]oxyoct-5-yn-1-ol;tert-butyl-non-3-ynoxy-diphenylsilane
• PubChem CID: 159013919
• Molecular Formula: C49H66O3Si2
• Molecular Weight: 759.24 g/mol
• Exact Mass: 758.46
• IUPAC Name: 8-[tert-butyl(diphenyl)silyl]oxyoct-5-yn-1-ol;tert-butyl-non-3-ynoxy-diphenylsilane
• SMILES: CC(C)(C)[Si](OCCC#CCCCCO)(c1ccccc1)c1ccccc1.CCCCCC#CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
• InChI: InChI=1S/C25H34OSi.C24H32O2Si/c1-5-6-7-8-9-10-17-22-26-27(25(2,3)4,23-18-13-11-14-19-23)24-20-15-12-16-21-24;1-24(2,3)27(22-16-10-8-11-17-22,23-18-12-9-13-19-23)26-21-15-7-5-4-6-14-20-25/h11-16,18-21H,5-8,17,22H2,1-4H3;8-13,16-19,25H,4,6,14-15,20-21H2,1-3H3
• InChIKey: JSVPQFCMDUQZPW-UHFFFAOYSA-N
• XLogP: 9.66
• TPSA: 38.69 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 16
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	759.24
LogP ≤ 5	9.66
H-Bond Donors ≤ 5	1
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 8-[tert-butyl(diphenyl)silyl]oxyoct-5-yn-1-ol;tert-butyl-non-3-ynoxy-diphenylsilane?

The IUPAC name of 8-[tert-butyl(diphenyl)silyl]oxyoct-5-yn-1-ol;tert-butyl-non-3-ynoxy-diphenylsilane (CID 159013919) is 8-[tert-butyl(diphenyl)silyl]oxyoct-5-yn-1-ol;tert-butyl-non-3-ynoxy-diphenylsilane.

What is the SMILES notation for 8-[tert-butyl(diphenyl)silyl]oxyoct-5-yn-1-ol;tert-butyl-non-3-ynoxy-diphenylsilane?

The canonical SMILES for 8-[tert-butyl(diphenyl)silyl]oxyoct-5-yn-1-ol;tert-butyl-non-3-ynoxy-diphenylsilane is CC(C)(C)[Si](OCCC#CCCCCO)(c1ccccc1)c1ccccc1.CCCCCC#CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.

What is the InChIKey of 8-[tert-butyl(diphenyl)silyl]oxyoct-5-yn-1-ol;tert-butyl-non-3-ynoxy-diphenylsilane?

The InChIKey is JSVPQFCMDUQZPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34OSi.C24H32O2Si/c1-5-6-7-8-9-10-17-22-26-27(25(2,3)4,23-18-13-11-14-19-23)24-20-15-12-16-21-24;1-24(2,3)27(22-16-10-8-11-17-22,23-18-12-9-13-19-23)26-21-15-7-5-4-6-14-20-25/h11-16,18-21H,5-8,17,22H2,1-4H3;8-13,16-19,25H,4,6,14-15,20-21H2,1-3H3.

What are the key properties of 8-[tert-butyl(diphenyl)silyl]oxyoct-5-yn-1-ol;tert-butyl-non-3-ynoxy-diphenylsilane?

8-[tert-butyl(diphenyl)silyl]oxyoct-5-yn-1-ol;tert-butyl-non-3-ynoxy-diphenylsilane has a molecular weight of 759.24 g/mol, XLogP of 9.66, 16 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[tert-butyl(diphenyl)silyl]oxyoct-5-yn-1-ol;tert-butyl-non-3-ynoxy-diphenylsilane is sourced from PubChem (CID 159013919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).