tert-butyl-[(3E)-9-[tert-butyl(dimethyl)silyl]oxynona-1,3-dien-5-yl]oxy-diphenylsilane

C31H48O2Si2 — CID 11364212

About tert-butyl-[(3E)-9-[tert-butyl(dimethyl)silyl]oxynona-1,3-dien-5-yl]oxy-diphenylsilane

tert-butyl-[(3E)-9-[tert-butyl(dimethyl)silyl]oxynona-1,3-dien-5-yl]oxy-diphenylsilane (PubChem CID 11364212) has the molecular formula C31H48O2Si2 and a molecular weight of 508.90 g/mol. Its IUPAC name is tert-butyl-[(3E)-9-[tert-butyl(dimethyl)silyl]oxynona-1,3-dien-5-yl]oxy-diphenylsilane.

Molecular Properties

• Compound Name: tert-butyl-[(3E)-9-[tert-butyl(dimethyl)silyl]oxynona-1,3-dien-5-yl]oxy-diphenylsilane
• PubChem CID: 11364212
• Molecular Formula: C31H48O2Si2
• Molecular Weight: 508.90 g/mol
• Exact Mass: 508.32
• IUPAC Name: tert-butyl-[(3E)-9-[tert-butyl(dimethyl)silyl]oxynona-1,3-dien-5-yl]oxy-diphenylsilane
• SMILES: C=C/C=C/C(CCCCO[Si](C)(C)C(C)(C)C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
• InChI: InChI=1S/C31H48O2Si2/c1-10-11-20-27(21-18-19-26-32-34(8,9)30(2,3)4)33-35(31(5,6)7,28-22-14-12-15-23-28)29-24-16-13-17-25-29/h10-17,20,22-25,27H,1,18-19,21,26H2,2-9H3/b20-11+
• InChIKey: SQSYKFLDKCCTCJ-RGVLZGJSSA-N
• XLogP: 7.87
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 12
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	508.90
LogP ≤ 5	7.87
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(3E)-9-[tert-butyl(dimethyl)silyl]oxynona-1,3-dien-5-yl]oxy-diphenylsilane?

The IUPAC name of tert-butyl-[(3E)-9-[tert-butyl(dimethyl)silyl]oxynona-1,3-dien-5-yl]oxy-diphenylsilane (CID 11364212) is tert-butyl-[(3E)-9-[tert-butyl(dimethyl)silyl]oxynona-1,3-dien-5-yl]oxy-diphenylsilane.

What is the SMILES notation for tert-butyl-[(3E)-9-[tert-butyl(dimethyl)silyl]oxynona-1,3-dien-5-yl]oxy-diphenylsilane?

The canonical SMILES for tert-butyl-[(3E)-9-[tert-butyl(dimethyl)silyl]oxynona-1,3-dien-5-yl]oxy-diphenylsilane is C=C/C=C/C(CCCCO[Si](C)(C)C(C)(C)C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.

What is the InChIKey of tert-butyl-[(3E)-9-[tert-butyl(dimethyl)silyl]oxynona-1,3-dien-5-yl]oxy-diphenylsilane?

The InChIKey is SQSYKFLDKCCTCJ-RGVLZGJSSA-N. The full InChI is InChI=1S/C31H48O2Si2/c1-10-11-20-27(21-18-19-26-32-34(8,9)30(2,3)4)33-35(31(5,6)7,28-22-14-12-15-23-28)29-24-16-13-17-25-29/h10-17,20,22-25,27H,1,18-19,21,26H2,2-9H3/b20-11+.

What are the key properties of tert-butyl-[(3E)-9-[tert-butyl(dimethyl)silyl]oxynona-1,3-dien-5-yl]oxy-diphenylsilane?

tert-butyl-[(3E)-9-[tert-butyl(dimethyl)silyl]oxynona-1,3-dien-5-yl]oxy-diphenylsilane has a molecular weight of 508.90 g/mol, XLogP of 7.87, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-[(3E)-9-[tert-butyl(dimethyl)silyl]oxynona-1,3-dien-5-yl]oxy-diphenylsilane is sourced from PubChem (CID 11364212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).