[4-[[2-[difluoro(methoxy)methoxy]-2,2-difluoroethoxy]methyl]-1,7-bis(trimethoxysilyl)heptan-4-yl] 5-trimethoxysilyl-2-(3-trimethoxysilylpropyl)pentanoate

C32H68F4O17Si4 — CID 167678975

About [4-[[2-[difluoro(methoxy)methoxy]-2,2-difluoroethoxy]methyl]-1,7-bis(trimethoxysilyl)heptan-4-yl] 5-trimethoxysilyl-2-(3-trimethoxysilylpropyl)pentanoate

[4-[[2-[difluoro(methoxy)methoxy]-2,2-difluoroethoxy]methyl]-1,7-bis(trimethoxysilyl)heptan-4-yl] 5-trimethoxysilyl-2-(3-trimethoxysilylpropyl)pentanoate (PubChem CID 167678975) has the molecular formula C32H68F4O17Si4 and a molecular weight of 913.21 g/mol. Its IUPAC name is [4-[[2-[difluoro(methoxy)methoxy]-2,2-difluoroethoxy]methyl]-1,7-bis(trimethoxysilyl)heptan-4-yl] 5-trimethoxysilyl-2-(3-trimethoxysilylpropyl)pentanoate.

Molecular Properties

• Compound Name: [4-[[2-[difluoro(methoxy)methoxy]-2,2-difluoroethoxy]methyl]-1,7-bis(trimethoxysilyl)heptan-4-yl] 5-trimethoxysilyl-2-(3-trimethoxysilylpropyl)pentanoate
• PubChem CID: 167678975
• Molecular Formula: C32H68F4O17Si4
• Molecular Weight: 913.21 g/mol
• Exact Mass: 912.35
• IUPAC Name: [4-[[2-[difluoro(methoxy)methoxy]-2,2-difluoroethoxy]methyl]-1,7-bis(trimethoxysilyl)heptan-4-yl] 5-trimethoxysilyl-2-(3-trimethoxysilylpropyl)pentanoate
• SMILES: COC(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
• InChI: InChI=1S/C32H68F4O17Si4/c1-38-32(35,36)53-31(33,34)27-51-26-30(20-16-24-56(45-8,46-9)47-10,21-17-25-57(48-11,49-12)50-13)52-29(37)28(18-14-22-54(39-2,40-3)41-4)19-15-23-55(42-5,43-6)44-7/h28H,14-27H2,1-13H3
• InChIKey: JZQQLWAOIPBRLQ-UHFFFAOYSA-N
• XLogP: 5.34
• TPSA: 164.75 Ų
• H-Bond Acceptors: 17
• Rotatable Bonds: 37
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	913.21
LogP ≤ 5	5.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	17

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-[difluoro(methoxy)methoxy]-2,2-difluoroethoxy]methyl]-1,7-bis(trimethoxysilyl)heptan-4-yl] 5-trimethoxysilyl-2-(3-trimethoxysilylpropyl)pentanoate?

The IUPAC name of [4-[[2-[difluoro(methoxy)methoxy]-2,2-difluoroethoxy]methyl]-1,7-bis(trimethoxysilyl)heptan-4-yl] 5-trimethoxysilyl-2-(3-trimethoxysilylpropyl)pentanoate (CID 167678975) is [4-[[2-[difluoro(methoxy)methoxy]-2,2-difluoroethoxy]methyl]-1,7-bis(trimethoxysilyl)heptan-4-yl] 5-trimethoxysilyl-2-(3-trimethoxysilylpropyl)pentanoate.

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

The canonical SMILES for [4-[[2-[difluoro(methoxy)methoxy]-2,2-difluoroethoxy]methyl]-1,7-bis(trimethoxysilyl)heptan-4-yl] 5-trimethoxysilyl-2-(3-trimethoxysilylpropyl)pentanoate is COC(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.

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

The InChIKey is JZQQLWAOIPBRLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H68F4O17Si4/c1-38-32(35,36)53-31(33,34)27-51-26-30(20-16-24-56(45-8,46-9)47-10,21-17-25-57(48-11,49-12)50-13)52-29(37)28(18-14-22-54(39-2,40-3)41-4)19-15-23-55(42-5,43-6)44-7/h28H,14-27H2,1-13H3.

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

[4-[[2-[difluoro(methoxy)methoxy]-2,2-difluoroethoxy]methyl]-1,7-bis(trimethoxysilyl)heptan-4-yl] 5-trimethoxysilyl-2-(3-trimethoxysilylpropyl)pentanoate has a molecular weight of 913.21 g/mol, XLogP of 5.34, 37 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[[2-[difluoro(methoxy)methoxy]-2,2-difluoroethoxy]methyl]-1,7-bis(trimethoxysilyl)heptan-4-yl] 5-trimethoxysilyl-2-(3-trimethoxysilylpropyl)pentanoate is sourced from PubChem (CID 167678975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).