[4-[2-[4-[2-[4-[2-[2,2-difluoro-4-[5-trimethoxysilyl-2,2-bis(3-trimethoxysilylpropyl)pentanoyl]oxybutoxy]-1,1-difluoroethoxy]-2,2,4,4-tetrafluorobutoxy]-2-fluorocyclobutyl]oxy-1,1,3,3-tetrafluorobutoxy]-2,2-difluoroethoxy]-3,3-difluorobutyl] 5-trimethoxysilyl-2,2-bis(3-trimethoxysilylpropyl)pentanoate

C64H119F17O28Si6 — CID 167545895

About [4-[2-[4-[2-[4-[2-[2,2-difluoro-4-[5-trimethoxysilyl-2,2-bis(3-trimethoxysilylpropyl)pentanoyl]oxybutoxy]-1,1-difluoroethoxy]-2,2,4,4-tetrafluorobutoxy]-2-fluorocyclobutyl]oxy-1,1,3,3-tetrafluorobutoxy]-2,2-difluoroethoxy]-3,3-difluorobutyl] 5-trimethoxysilyl-2,2-bis(3-trimethoxysilylpropyl)pentanoate

[4-[2-[4-[2-[4-[2-[2,2-difluoro-4-[5-trimethoxysilyl-2,2-bis(3-trimethoxysilylpropyl)pentanoyl]oxybutoxy]-1,1-difluoroethoxy]-2,2,4,4-tetrafluorobutoxy]-2-fluorocyclobutyl]oxy-1,1,3,3-tetrafluorobutoxy]-2,2-difluoroethoxy]-3,3-difluorobutyl] 5-trimethoxysilyl-2,2-bis(3-trimethoxysilylpropyl)pentanoate (PubChem CID 167545895) has the molecular formula C64H119F17O28Si6 and a molecular weight of 1828.11 g/mol. Its IUPAC name is [4-[2-[4-[2-[4-[2-[2,2-difluoro-4-[5-trimethoxysilyl-2,2-bis(3-trimethoxysilylpropyl)pentanoyl]oxybutoxy]-1,1-difluoroethoxy]-2,2,4,4-tetrafluorobutoxy]-2-fluorocyclobutyl]oxy-1,1,3,3-tetrafluorobutoxy]-2,2-difluoroethoxy]-3,3-difluorobutyl] 5-trimethoxysilyl-2,2-bis(3-trimethoxysilylpropyl)pentanoate.

Molecular Properties

• Compound Name: [4-[2-[4-[2-[4-[2-[2,2-difluoro-4-[5-trimethoxysilyl-2,2-bis(3-trimethoxysilylpropyl)pentanoyl]oxybutoxy]-1,1-difluoroethoxy]-2,2,4,4-tetrafluorobutoxy]-2-fluorocyclobutyl]oxy-1,1,3,3-tetrafluorobutoxy]-2,2-difluoroethoxy]-3,3-difluorobutyl] 5-trimethoxysilyl-2,2-bis(3-trimethoxysilylpropyl)pentanoate
• PubChem CID: 167545895
• Molecular Formula: C64H119F17O28Si6
• Molecular Weight: 1828.11 g/mol
• Exact Mass: 1826.62
• IUPAC Name: [4-[2-[4-[2-[4-[2-[2,2-difluoro-4-[5-trimethoxysilyl-2,2-bis(3-trimethoxysilylpropyl)pentanoyl]oxybutoxy]-1,1-difluoroethoxy]-2,2,4,4-tetrafluorobutoxy]-2-fluorocyclobutyl]oxy-1,1,3,3-tetrafluorobutoxy]-2,2-difluoroethoxy]-3,3-difluorobutyl] 5-trimethoxysilyl-2,2-bis(3-trimethoxysilylpropyl)pentanoate
• SMILES: CO[Si](CCCC(CCC[Si](OC)(OC)OC)(CCC[Si](OC)(OC)OC)C(=O)OCCC(F)(F)COCC(F)(F)OC(F)(F)CC(F)(F)COC1CCC1(F)OCC(F)(F)CC(F)(F)OC(F)(F)COCC(F)(F)CCOC(=O)C(CCC[Si](OC)(OC)OC)(CCC[Si](OC)(OC)OC)CCC[Si](OC)(OC)OC)(OC)OC
• InChI: InChI=1S/C64H119F17O28Si6/c1-84-110(85-2,86-3)37-19-26-54(27-20-38-111(87-4,88-5)89-6,28-21-39-112(90-7,91-8)92-9)52(82)104-35-33-56(65,66)45-102-49-63(78,79)108-61(74,75)43-58(69,70)47-106-51-25-32-60(51,73)107-48-59(71,72)44-62(76,77)109-64(80,81)50-103-46-57(67,68)34-36-105-53(83)55(29-22-40-113(93-10,94-11)95-12,30-23-41-114(96-13,97-14)98-15)31-24-42-115(99-16,100-17)101-18/h51H,19-50H2,1-18H3
• InChIKey: BUBBWPJMRUCXQZ-UHFFFAOYSA-N
• XLogP: 13.40
• TPSA: 274.12 Ų
• H-Bond Acceptors: 28
• Rotatable Bonds: 72
• Heavy Atoms: 115
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1828.11
LogP ≤ 5	13.40
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [4-[2-[4-[2-[4-[2-[2,2-difluoro-4-[5-trimethoxysilyl-2,2-bis(3-trimethoxysilylpropyl)pentanoyl]oxybutoxy]-1,1-difluoroethoxy]-2,2,4,4-tetrafluorobutoxy]-2-fluorocyclobutyl]oxy-1,1,3,3-tetrafluorobutoxy]-2,2-difluoroethoxy]-3,3-difluorobutyl] 5-trimethoxysilyl-2,2-bis(3-trimethoxysilylpropyl)pentanoate?

The IUPAC name of [4-[2-[4-[2-[4-[2-[2,2-difluoro-4-[5-trimethoxysilyl-2,2-bis(3-trimethoxysilylpropyl)pentanoyl]oxybutoxy]-1,1-difluoroethoxy]-2,2,4,4-tetrafluorobutoxy]-2-fluorocyclobutyl]oxy-1,1,3,3-tetrafluorobutoxy]-2,2-difluoroethoxy]-3,3-difluorobutyl] 5-trimethoxysilyl-2,2-bis(3-trimethoxysilylpropyl)pentanoate (CID 167545895) is [4-[2-[4-[2-[4-[2-[2,2-difluoro-4-[5-trimethoxysilyl-2,2-bis(3-trimethoxysilylpropyl)pentanoyl]oxybutoxy]-1,1-difluoroethoxy]-2,2,4,4-tetrafluorobutoxy]-2-fluorocyclobutyl]oxy-1,1,3,3-tetrafluorobutoxy]-2,2-difluoroethoxy]-3,3-difluorobutyl] 5-trimethoxysilyl-2,2-bis(3-trimethoxysilylpropyl)pentanoate.

What is the SMILES notation for [4-[2-[4-[2-[4-[2-[2,2-difluoro-4-[5-trimethoxysilyl-2,2-bis(3-trimethoxysilylpropyl)pentanoyl]oxybutoxy]-1,1-difluoroethoxy]-2,2,4,4-tetrafluorobutoxy]-2-fluorocyclobutyl]oxy-1,1,3,3-tetrafluorobutoxy]-2,2-difluoroethoxy]-3,3-difluorobutyl] 5-trimethoxysilyl-2,2-bis(3-trimethoxysilylpropyl)pentanoate?

The canonical SMILES for [4-[2-[4-[2-[4-[2-[2,2-difluoro-4-[5-trimethoxysilyl-2,2-bis(3-trimethoxysilylpropyl)pentanoyl]oxybutoxy]-1,1-difluoroethoxy]-2,2,4,4-tetrafluorobutoxy]-2-fluorocyclobutyl]oxy-1,1,3,3-tetrafluorobutoxy]-2,2-difluoroethoxy]-3,3-difluorobutyl] 5-trimethoxysilyl-2,2-bis(3-trimethoxysilylpropyl)pentanoate is CO[Si](CCCC(CCC[Si](OC)(OC)OC)(CCC[Si](OC)(OC)OC)C(=O)OCCC(F)(F)COCC(F)(F)OC(F)(F)CC(F)(F)COC1CCC1(F)OCC(F)(F)CC(F)(F)OC(F)(F)COCC(F)(F)CCOC(=O)C(CCC[Si](OC)(OC)OC)(CCC[Si](OC)(OC)OC)CCC[Si](OC)(OC)OC)(OC)OC.

What is the InChIKey of [4-[2-[4-[2-[4-[2-[2,2-difluoro-4-[5-trimethoxysilyl-2,2-bis(3-trimethoxysilylpropyl)pentanoyl]oxybutoxy]-1,1-difluoroethoxy]-2,2,4,4-tetrafluorobutoxy]-2-fluorocyclobutyl]oxy-1,1,3,3-tetrafluorobutoxy]-2,2-difluoroethoxy]-3,3-difluorobutyl] 5-trimethoxysilyl-2,2-bis(3-trimethoxysilylpropyl)pentanoate?

The InChIKey is BUBBWPJMRUCXQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H119F17O28Si6/c1-84-110(85-2,86-3)37-19-26-54(27-20-38-111(87-4,88-5)89-6,28-21-39-112(90-7,91-8)92-9)52(82)104-35-33-56(65,66)45-102-49-63(78,79)108-61(74,75)43-58(69,70)47-106-51-25-32-60(51,73)107-48-59(71,72)44-62(76,77)109-64(80,81)50-103-46-57(67,68)34-36-105-53(83)55(29-22-40-113(93-10,94-11)95-12,30-23-41-114(96-13,97-14)98-15)31-24-42-115(99-16,100-17)101-18/h51H,19-50H2,1-18H3.

What are the key properties of [4-[2-[4-[2-[4-[2-[2,2-difluoro-4-[5-trimethoxysilyl-2,2-bis(3-trimethoxysilylpropyl)pentanoyl]oxybutoxy]-1,1-difluoroethoxy]-2,2,4,4-tetrafluorobutoxy]-2-fluorocyclobutyl]oxy-1,1,3,3-tetrafluorobutoxy]-2,2-difluoroethoxy]-3,3-difluorobutyl] 5-trimethoxysilyl-2,2-bis(3-trimethoxysilylpropyl)pentanoate?

[4-[2-[4-[2-[4-[2-[2,2-difluoro-4-[5-trimethoxysilyl-2,2-bis(3-trimethoxysilylpropyl)pentanoyl]oxybutoxy]-1,1-difluoroethoxy]-2,2,4,4-tetrafluorobutoxy]-2-fluorocyclobutyl]oxy-1,1,3,3-tetrafluorobutoxy]-2,2-difluoroethoxy]-3,3-difluorobutyl] 5-trimethoxysilyl-2,2-bis(3-trimethoxysilylpropyl)pentanoate has a molecular weight of 1828.11 g/mol, XLogP of 13.40, 72 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[2-[4-[2-[4-[2-[2,2-difluoro-4-[5-trimethoxysilyl-2,2-bis(3-trimethoxysilylpropyl)pentanoyl]oxybutoxy]-1,1-difluoroethoxy]-2,2,4,4-tetrafluorobutoxy]-2-fluorocyclobutyl]oxy-1,1,3,3-tetrafluorobutoxy]-2,2-difluoroethoxy]-3,3-difluorobutyl] 5-trimethoxysilyl-2,2-bis(3-trimethoxysilylpropyl)pentanoate is sourced from PubChem (CID 167545895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).