[4-[[2-[[6-[2-(1,1-difluoropropoxy)-2,2-difluoroethoxy]-1,1,3,3,5,5-hexafluorohexoxy]-difluoromethoxy]-2,2-difluoroethoxy]methyl]-1,7-bis(trimethoxysilyl)heptan-4-yl] 5-trimethoxysilyl-2,2-bis(3-trimethoxysilylpropyl)pentanoate

C48H92F14O22Si5 — CID 167608567

About [4-[[2-[[6-[2-(1,1-difluoropropoxy)-2,2-difluoroethoxy]-1,1,3,3,5,5-hexafluorohexoxy]-difluoromethoxy]-2,2-difluoroethoxy]methyl]-1,7-bis(trimethoxysilyl)heptan-4-yl] 5-trimethoxysilyl-2,2-bis(3-trimethoxysilylpropyl)pentanoate

[4-[[2-[[6-[2-(1,1-difluoropropoxy)-2,2-difluoroethoxy]-1,1,3,3,5,5-hexafluorohexoxy]-difluoromethoxy]-2,2-difluoroethoxy]methyl]-1,7-bis(trimethoxysilyl)heptan-4-yl] 5-trimethoxysilyl-2,2-bis(3-trimethoxysilylpropyl)pentanoate (PubChem CID 167608567) has the molecular formula C48H92F14O22Si5 and a molecular weight of 1427.64 g/mol. Its IUPAC name is [4-[[2-[[6-[2-(1,1-difluoropropoxy)-2,2-difluoroethoxy]-1,1,3,3,5,5-hexafluorohexoxy]-difluoromethoxy]-2,2-difluoroethoxy]methyl]-1,7-bis(trimethoxysilyl)heptan-4-yl] 5-trimethoxysilyl-2,2-bis(3-trimethoxysilylpropyl)pentanoate.

Molecular Properties

• Compound Name: [4-[[2-[[6-[2-(1,1-difluoropropoxy)-2,2-difluoroethoxy]-1,1,3,3,5,5-hexafluorohexoxy]-difluoromethoxy]-2,2-difluoroethoxy]methyl]-1,7-bis(trimethoxysilyl)heptan-4-yl] 5-trimethoxysilyl-2,2-bis(3-trimethoxysilylpropyl)pentanoate
• PubChem CID: 167608567
• Molecular Formula: C48H92F14O22Si5
• Molecular Weight: 1427.64 g/mol
• Exact Mass: 1426.47
• IUPAC Name: [4-[[2-[[6-[2-(1,1-difluoropropoxy)-2,2-difluoroethoxy]-1,1,3,3,5,5-hexafluorohexoxy]-difluoromethoxy]-2,2-difluoroethoxy]methyl]-1,7-bis(trimethoxysilyl)heptan-4-yl] 5-trimethoxysilyl-2,2-bis(3-trimethoxysilylpropyl)pentanoate
• SMILES: CCC(F)(F)OC(F)(F)COCC(F)(F)CC(F)(F)CC(F)(F)OC(F)(F)OC(F)(F)COCC(CCC[Si](OC)(OC)OC)(CCC[Si](OC)(OC)OC)OC(=O)C(CCC[Si](OC)(OC)OC)(CCC[Si](OC)(OC)OC)CCC[Si](OC)(OC)OC
• InChI: InChI=1S/C48H92F14O22Si5/c1-17-44(53,54)82-46(57,58)37-80-36-43(51,52)33-42(49,50)34-45(55,56)83-48(61,62)84-47(59,60)38-79-35-41(26-21-31-88(73-11,74-12)75-13,27-22-32-89(76-14,77-15)78-16)81-39(63)40(23-18-28-85(64-2,65-3)66-4,24-19-29-86(67-5,68-6)69-7)25-20-30-87(70-8,71-9)72-10/h17-38H2,1-16H3
• InChIKey: BQSVSEYGJODORI-UHFFFAOYSA-N
• XLogP: 11.01
• TPSA: 210.90 Ų
• H-Bond Acceptors: 22
• Rotatable Bonds: 56
• Heavy Atoms: 89
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1427.64
LogP ≤ 5	11.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [4-[[2-[[6-[2-(1,1-difluoropropoxy)-2,2-difluoroethoxy]-1,1,3,3,5,5-hexafluorohexoxy]-difluoromethoxy]-2,2-difluoroethoxy]methyl]-1,7-bis(trimethoxysilyl)heptan-4-yl] 5-trimethoxysilyl-2,2-bis(3-trimethoxysilylpropyl)pentanoate?

The IUPAC name of [4-[[2-[[6-[2-(1,1-difluoropropoxy)-2,2-difluoroethoxy]-1,1,3,3,5,5-hexafluorohexoxy]-difluoromethoxy]-2,2-difluoroethoxy]methyl]-1,7-bis(trimethoxysilyl)heptan-4-yl] 5-trimethoxysilyl-2,2-bis(3-trimethoxysilylpropyl)pentanoate (CID 167608567) is [4-[[2-[[6-[2-(1,1-difluoropropoxy)-2,2-difluoroethoxy]-1,1,3,3,5,5-hexafluorohexoxy]-difluoromethoxy]-2,2-difluoroethoxy]methyl]-1,7-bis(trimethoxysilyl)heptan-4-yl] 5-trimethoxysilyl-2,2-bis(3-trimethoxysilylpropyl)pentanoate.

What is the SMILES notation for [4-[[2-[[6-[2-(1,1-difluoropropoxy)-2,2-difluoroethoxy]-1,1,3,3,5,5-hexafluorohexoxy]-difluoromethoxy]-2,2-difluoroethoxy]methyl]-1,7-bis(trimethoxysilyl)heptan-4-yl] 5-trimethoxysilyl-2,2-bis(3-trimethoxysilylpropyl)pentanoate?

The canonical SMILES for [4-[[2-[[6-[2-(1,1-difluoropropoxy)-2,2-difluoroethoxy]-1,1,3,3,5,5-hexafluorohexoxy]-difluoromethoxy]-2,2-difluoroethoxy]methyl]-1,7-bis(trimethoxysilyl)heptan-4-yl] 5-trimethoxysilyl-2,2-bis(3-trimethoxysilylpropyl)pentanoate is CCC(F)(F)OC(F)(F)COCC(F)(F)CC(F)(F)CC(F)(F)OC(F)(F)OC(F)(F)COCC(CCC[Si](OC)(OC)OC)(CCC[Si](OC)(OC)OC)OC(=O)C(CCC[Si](OC)(OC)OC)(CCC[Si](OC)(OC)OC)CCC[Si](OC)(OC)OC.

What is the InChIKey of [4-[[2-[[6-[2-(1,1-difluoropropoxy)-2,2-difluoroethoxy]-1,1,3,3,5,5-hexafluorohexoxy]-difluoromethoxy]-2,2-difluoroethoxy]methyl]-1,7-bis(trimethoxysilyl)heptan-4-yl] 5-trimethoxysilyl-2,2-bis(3-trimethoxysilylpropyl)pentanoate?

The InChIKey is BQSVSEYGJODORI-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H92F14O22Si5/c1-17-44(53,54)82-46(57,58)37-80-36-43(51,52)33-42(49,50)34-45(55,56)83-48(61,62)84-47(59,60)38-79-35-41(26-21-31-88(73-11,74-12)75-13,27-22-32-89(76-14,77-15)78-16)81-39(63)40(23-18-28-85(64-2,65-3)66-4,24-19-29-86(67-5,68-6)69-7)25-20-30-87(70-8,71-9)72-10/h17-38H2,1-16H3.

What are the key properties of [4-[[2-[[6-[2-(1,1-difluoropropoxy)-2,2-difluoroethoxy]-1,1,3,3,5,5-hexafluorohexoxy]-difluoromethoxy]-2,2-difluoroethoxy]methyl]-1,7-bis(trimethoxysilyl)heptan-4-yl] 5-trimethoxysilyl-2,2-bis(3-trimethoxysilylpropyl)pentanoate?

[4-[[2-[[6-[2-(1,1-difluoropropoxy)-2,2-difluoroethoxy]-1,1,3,3,5,5-hexafluorohexoxy]-difluoromethoxy]-2,2-difluoroethoxy]methyl]-1,7-bis(trimethoxysilyl)heptan-4-yl] 5-trimethoxysilyl-2,2-bis(3-trimethoxysilylpropyl)pentanoate has a molecular weight of 1427.64 g/mol, XLogP of 11.01, 56 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[[2-[[6-[2-(1,1-difluoropropoxy)-2,2-difluoroethoxy]-1,1,3,3,5,5-hexafluorohexoxy]-difluoromethoxy]-2,2-difluoroethoxy]methyl]-1,7-bis(trimethoxysilyl)heptan-4-yl] 5-trimethoxysilyl-2,2-bis(3-trimethoxysilylpropyl)pentanoate is sourced from PubChem (CID 167608567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).