8-[tert-butyl(diphenyl)silyl]oxy-7-[[tert-butyl(diphenyl)silyl]oxymethyl]-7-fluorooctan-2-one

C41H53FO3Si2 — CID 142348320

About 8-[tert-butyl(diphenyl)silyl]oxy-7-[[tert-butyl(diphenyl)silyl]oxymethyl]-7-fluorooctan-2-one

8-[tert-butyl(diphenyl)silyl]oxy-7-[[tert-butyl(diphenyl)silyl]oxymethyl]-7-fluorooctan-2-one (PubChem CID 142348320) has the molecular formula C41H53FO3Si2 and a molecular weight of 669.04 g/mol. Its IUPAC name is 8-[tert-butyl(diphenyl)silyl]oxy-7-[[tert-butyl(diphenyl)silyl]oxymethyl]-7-fluorooctan-2-one.

Molecular Properties

• Compound Name: 8-[tert-butyl(diphenyl)silyl]oxy-7-[[tert-butyl(diphenyl)silyl]oxymethyl]-7-fluorooctan-2-one
• PubChem CID: 142348320
• Molecular Formula: C41H53FO3Si2
• Molecular Weight: 669.04 g/mol
• Exact Mass: 668.35
• IUPAC Name: 8-[tert-butyl(diphenyl)silyl]oxy-7-[[tert-butyl(diphenyl)silyl]oxymethyl]-7-fluorooctan-2-one
• SMILES: CC(=O)CCCCC(F)(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
• InChI: InChI=1S/C41H53FO3Si2/c1-34(43)22-20-21-31-41(42,32-44-46(39(2,3)4,35-23-12-8-13-24-35)36-25-14-9-15-26-36)33-45-47(40(5,6)7,37-27-16-10-17-28-37)38-29-18-11-19-30-38/h8-19,23-30H,20-22,31-33H2,1-7H3
• InChIKey: FBEJWRRCEUBXDD-UHFFFAOYSA-N
• XLogP: 8.00
• TPSA: 35.53 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 15
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	669.04
LogP ≤ 5	8.00
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 8-[tert-butyl(diphenyl)silyl]oxy-7-[[tert-butyl(diphenyl)silyl]oxymethyl]-7-fluorooctan-2-one?

The IUPAC name of 8-[tert-butyl(diphenyl)silyl]oxy-7-[[tert-butyl(diphenyl)silyl]oxymethyl]-7-fluorooctan-2-one (CID 142348320) is 8-[tert-butyl(diphenyl)silyl]oxy-7-[[tert-butyl(diphenyl)silyl]oxymethyl]-7-fluorooctan-2-one.

What is the SMILES notation for 8-[tert-butyl(diphenyl)silyl]oxy-7-[[tert-butyl(diphenyl)silyl]oxymethyl]-7-fluorooctan-2-one?

The canonical SMILES for 8-[tert-butyl(diphenyl)silyl]oxy-7-[[tert-butyl(diphenyl)silyl]oxymethyl]-7-fluorooctan-2-one is CC(=O)CCCCC(F)(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.

What is the InChIKey of 8-[tert-butyl(diphenyl)silyl]oxy-7-[[tert-butyl(diphenyl)silyl]oxymethyl]-7-fluorooctan-2-one?

The InChIKey is FBEJWRRCEUBXDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H53FO3Si2/c1-34(43)22-20-21-31-41(42,32-44-46(39(2,3)4,35-23-12-8-13-24-35)36-25-14-9-15-26-36)33-45-47(40(5,6)7,37-27-16-10-17-28-37)38-29-18-11-19-30-38/h8-19,23-30H,20-22,31-33H2,1-7H3.

What are the key properties of 8-[tert-butyl(diphenyl)silyl]oxy-7-[[tert-butyl(diphenyl)silyl]oxymethyl]-7-fluorooctan-2-one?

8-[tert-butyl(diphenyl)silyl]oxy-7-[[tert-butyl(diphenyl)silyl]oxymethyl]-7-fluorooctan-2-one has a molecular weight of 669.04 g/mol, XLogP of 8.00, 15 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[tert-butyl(diphenyl)silyl]oxy-7-[[tert-butyl(diphenyl)silyl]oxymethyl]-7-fluorooctan-2-one is sourced from PubChem (CID 142348320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).