[10-[2-[4-(2,2-difluoro-2-methoxyethoxy)-1,1,3,3-tetrafluorobutoxy]-2,2-difluoroethoxy]-9,9-difluoro-5,5-bis(3-trimethoxysilylpropyl)decyl]-trimethoxysilane

C34H66F10O13Si3 — CID 174111598

About [10-[2-[4-(2,2-difluoro-2-methoxyethoxy)-1,1,3,3-tetrafluorobutoxy]-2,2-difluoroethoxy]-9,9-difluoro-5,5-bis(3-trimethoxysilylpropyl)decyl]-trimethoxysilane

[10-[2-[4-(2,2-difluoro-2-methoxyethoxy)-1,1,3,3-tetrafluorobutoxy]-2,2-difluoroethoxy]-9,9-difluoro-5,5-bis(3-trimethoxysilylpropyl)decyl]-trimethoxysilane (PubChem CID 174111598) has the molecular formula C34H66F10O13Si3 and a molecular weight of 957.13 g/mol. Its IUPAC name is [10-[2-[4-(2,2-difluoro-2-methoxyethoxy)-1,1,3,3-tetrafluorobutoxy]-2,2-difluoroethoxy]-9,9-difluoro-5,5-bis(3-trimethoxysilylpropyl)decyl]-trimethoxysilane.

Molecular Properties

• Compound Name: [10-[2-[4-(2,2-difluoro-2-methoxyethoxy)-1,1,3,3-tetrafluorobutoxy]-2,2-difluoroethoxy]-9,9-difluoro-5,5-bis(3-trimethoxysilylpropyl)decyl]-trimethoxysilane
• PubChem CID: 174111598
• Molecular Formula: C34H66F10O13Si3
• Molecular Weight: 957.13 g/mol
• Exact Mass: 956.37
• IUPAC Name: [10-[2-[4-(2,2-difluoro-2-methoxyethoxy)-1,1,3,3-tetrafluorobutoxy]-2,2-difluoroethoxy]-9,9-difluoro-5,5-bis(3-trimethoxysilylpropyl)decyl]-trimethoxysilane
• SMILES: COC(F)(F)COCC(F)(F)CC(F)(F)OC(F)(F)COCC(F)(F)CCCC(CCCC[Si](OC)(OC)OC)(CCC[Si](OC)(OC)OC)CCC[Si](OC)(OC)OC
• InChI: InChI=1S/C34H66F10O13Si3/c1-45-33(41,42)27-56-26-31(37,38)24-32(39,40)57-34(43,44)28-55-25-30(35,36)20-13-17-29(18-14-22-59(49-5,50-6)51-7,19-15-23-60(52-8,53-9)54-10)16-11-12-21-58(46-2,47-3)48-4/h11-28H2,1-10H3
• InChIKey: JMLMKVQQVUZJNP-UHFFFAOYSA-N
• XLogP: 8.64
• TPSA: 119.99 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 39
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	957.13
LogP ≤ 5	8.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

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 [10-[2-[4-(2,2-difluoro-2-methoxyethoxy)-1,1,3,3-tetrafluorobutoxy]-2,2-difluoroethoxy]-9,9-difluoro-5,5-bis(3-trimethoxysilylpropyl)decyl]-trimethoxysilane?

The IUPAC name of [10-[2-[4-(2,2-difluoro-2-methoxyethoxy)-1,1,3,3-tetrafluorobutoxy]-2,2-difluoroethoxy]-9,9-difluoro-5,5-bis(3-trimethoxysilylpropyl)decyl]-trimethoxysilane (CID 174111598) is [10-[2-[4-(2,2-difluoro-2-methoxyethoxy)-1,1,3,3-tetrafluorobutoxy]-2,2-difluoroethoxy]-9,9-difluoro-5,5-bis(3-trimethoxysilylpropyl)decyl]-trimethoxysilane.

What is the SMILES notation for [10-[2-[4-(2,2-difluoro-2-methoxyethoxy)-1,1,3,3-tetrafluorobutoxy]-2,2-difluoroethoxy]-9,9-difluoro-5,5-bis(3-trimethoxysilylpropyl)decyl]-trimethoxysilane?

The canonical SMILES for [10-[2-[4-(2,2-difluoro-2-methoxyethoxy)-1,1,3,3-tetrafluorobutoxy]-2,2-difluoroethoxy]-9,9-difluoro-5,5-bis(3-trimethoxysilylpropyl)decyl]-trimethoxysilane is COC(F)(F)COCC(F)(F)CC(F)(F)OC(F)(F)COCC(F)(F)CCCC(CCCC[Si](OC)(OC)OC)(CCC[Si](OC)(OC)OC)CCC[Si](OC)(OC)OC.

What is the InChIKey of [10-[2-[4-(2,2-difluoro-2-methoxyethoxy)-1,1,3,3-tetrafluorobutoxy]-2,2-difluoroethoxy]-9,9-difluoro-5,5-bis(3-trimethoxysilylpropyl)decyl]-trimethoxysilane?

The InChIKey is JMLMKVQQVUZJNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H66F10O13Si3/c1-45-33(41,42)27-56-26-31(37,38)24-32(39,40)57-34(43,44)28-55-25-30(35,36)20-13-17-29(18-14-22-59(49-5,50-6)51-7,19-15-23-60(52-8,53-9)54-10)16-11-12-21-58(46-2,47-3)48-4/h11-28H2,1-10H3.

What are the key properties of [10-[2-[4-(2,2-difluoro-2-methoxyethoxy)-1,1,3,3-tetrafluorobutoxy]-2,2-difluoroethoxy]-9,9-difluoro-5,5-bis(3-trimethoxysilylpropyl)decyl]-trimethoxysilane?

[10-[2-[4-(2,2-difluoro-2-methoxyethoxy)-1,1,3,3-tetrafluorobutoxy]-2,2-difluoroethoxy]-9,9-difluoro-5,5-bis(3-trimethoxysilylpropyl)decyl]-trimethoxysilane has a molecular weight of 957.13 g/mol, XLogP of 8.64, 39 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for [10-[2-[4-(2,2-difluoro-2-methoxyethoxy)-1,1,3,3-tetrafluorobutoxy]-2,2-difluoroethoxy]-9,9-difluoro-5,5-bis(3-trimethoxysilylpropyl)decyl]-trimethoxysilane is sourced from PubChem (CID 174111598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).