[(5Z,24Z)-15-[tert-butyl(diphenyl)silyl]oxy-29-formylperoxynonacosa-5,24-dienyl] formate

C47H74O6Si — CID 164754063

About [(5Z,24Z)-15-[tert-butyl(diphenyl)silyl]oxy-29-formylperoxynonacosa-5,24-dienyl] formate

[(5Z,24Z)-15-[tert-butyl(diphenyl)silyl]oxy-29-formylperoxynonacosa-5,24-dienyl] formate (PubChem CID 164754063) has the molecular formula C47H74O6Si and a molecular weight of 763.19 g/mol. Its IUPAC name is [(5Z,24Z)-15-[tert-butyl(diphenyl)silyl]oxy-29-formylperoxynonacosa-5,24-dienyl] formate.

Molecular Properties

• Compound Name: [(5Z,24Z)-15-[tert-butyl(diphenyl)silyl]oxy-29-formylperoxynonacosa-5,24-dienyl] formate
• PubChem CID: 164754063
• Molecular Formula: C47H74O6Si
• Molecular Weight: 763.19 g/mol
• Exact Mass: 762.53
• IUPAC Name: [(5Z,24Z)-15-[tert-butyl(diphenyl)silyl]oxy-29-formylperoxynonacosa-5,24-dienyl] formate
• SMILES: CC(C)(C)[Si](OC(CCCCCCCC/C=C\CCCCOC=O)CCCCCCCC/C=C\CCCCOOC=O)(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C47H74O6Si/c1-47(2,3)54(45-36-28-24-29-37-45,46-38-30-25-31-39-46)53-44(34-26-20-16-12-8-4-6-10-14-18-22-32-40-50-42-48)35-27-21-17-13-9-5-7-11-15-19-23-33-41-51-52-43-49/h10-11,14-15,24-25,28-31,36-39,42-44H,4-9,12-13,16-23,26-27,32-35,40-41H2,1-3H3/b14-10-,15-11-
• InChIKey: SMSSHLQIWUABRU-HYQBVQLESA-N
• XLogP: 11.90
• TPSA: 71.06 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 35
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	763.19
LogP ≤ 5	11.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(5Z,24Z)-15-[tert-butyl(diphenyl)silyl]oxy-29-formylperoxynonacosa-5,24-dienyl] formate?

The IUPAC name of [(5Z,24Z)-15-[tert-butyl(diphenyl)silyl]oxy-29-formylperoxynonacosa-5,24-dienyl] formate (CID 164754063) is [(5Z,24Z)-15-[tert-butyl(diphenyl)silyl]oxy-29-formylperoxynonacosa-5,24-dienyl] formate.

What is the SMILES notation for [(5Z,24Z)-15-[tert-butyl(diphenyl)silyl]oxy-29-formylperoxynonacosa-5,24-dienyl] formate?

The canonical SMILES for [(5Z,24Z)-15-[tert-butyl(diphenyl)silyl]oxy-29-formylperoxynonacosa-5,24-dienyl] formate is CC(C)(C)[Si](OC(CCCCCCCC/C=C\CCCCOC=O)CCCCCCCC/C=C\CCCCOOC=O)(c1ccccc1)c1ccccc1.

What is the InChIKey of [(5Z,24Z)-15-[tert-butyl(diphenyl)silyl]oxy-29-formylperoxynonacosa-5,24-dienyl] formate?

The InChIKey is SMSSHLQIWUABRU-HYQBVQLESA-N. The full InChI is InChI=1S/C47H74O6Si/c1-47(2,3)54(45-36-28-24-29-37-45,46-38-30-25-31-39-46)53-44(34-26-20-16-12-8-4-6-10-14-18-22-32-40-50-42-48)35-27-21-17-13-9-5-7-11-15-19-23-33-41-51-52-43-49/h10-11,14-15,24-25,28-31,36-39,42-44H,4-9,12-13,16-23,26-27,32-35,40-41H2,1-3H3/b14-10-,15-11-.

What are the key properties of [(5Z,24Z)-15-[tert-butyl(diphenyl)silyl]oxy-29-formylperoxynonacosa-5,24-dienyl] formate?

[(5Z,24Z)-15-[tert-butyl(diphenyl)silyl]oxy-29-formylperoxynonacosa-5,24-dienyl] formate has a molecular weight of 763.19 g/mol, XLogP of 11.90, 35 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [(5Z,24Z)-15-[tert-butyl(diphenyl)silyl]oxy-29-formylperoxynonacosa-5,24-dienyl] formate is sourced from PubChem (CID 164754063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).