triethoxy(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)silane;triethoxy(3,3,4,4,5,5,6,6,6-nonafluorohexyl)silane

C28H38F26O6Si2 — CID 159728593

About triethoxy(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)silane;triethoxy(3,3,4,4,5,5,6,6,6-nonafluorohexyl)silane

triethoxy(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)silane;triethoxy(3,3,4,4,5,5,6,6,6-nonafluorohexyl)silane (PubChem CID 159728593) has the molecular formula C28H38F26O6Si2 and a molecular weight of 1020.73 g/mol. Its IUPAC name is triethoxy(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)silane;triethoxy(3,3,4,4,5,5,6,6,6-nonafluorohexyl)silane.

Molecular Properties

• Compound Name: triethoxy(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)silane;triethoxy(3,3,4,4,5,5,6,6,6-nonafluorohexyl)silane
• PubChem CID: 159728593
• Molecular Formula: C28H38F26O6Si2
• Molecular Weight: 1020.73 g/mol
• Exact Mass: 1020.18
• IUPAC Name: triethoxy(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)silane;triethoxy(3,3,4,4,5,5,6,6,6-nonafluorohexyl)silane
• SMILES: CCO[Si](CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(OCC)OCC.CCO[Si](CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(OCC)OCC
• InChI: InChI=1S/C16H19F17O3Si.C12H19F9O3Si/c1-4-34-37(35-5-2,36-6-3)8-7-9(17,18)10(19,20)11(21,22)12(23,24)13(25,26)14(27,28)15(29,30)16(31,32)33;1-4-22-25(23-5-2,24-6-3)8-7-9(13,14)10(15,16)11(17,18)12(19,20)21/h4-8H2,1-3H3;4-8H2,1-3H3
• InChIKey: NAYIOMMTOJFKFT-UHFFFAOYSA-N
• XLogP: 12.33
• TPSA: 55.38 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 26
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1020.73
LogP ≤ 5	12.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of triethoxy(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)silane;triethoxy(3,3,4,4,5,5,6,6,6-nonafluorohexyl)silane?

The IUPAC name of triethoxy(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)silane;triethoxy(3,3,4,4,5,5,6,6,6-nonafluorohexyl)silane (CID 159728593) is triethoxy(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)silane;triethoxy(3,3,4,4,5,5,6,6,6-nonafluorohexyl)silane.

What is the SMILES notation for triethoxy(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)silane;triethoxy(3,3,4,4,5,5,6,6,6-nonafluorohexyl)silane?

The canonical SMILES for triethoxy(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)silane;triethoxy(3,3,4,4,5,5,6,6,6-nonafluorohexyl)silane is CCO[Si](CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(OCC)OCC.CCO[Si](CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(OCC)OCC.

What is the InChIKey of triethoxy(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)silane;triethoxy(3,3,4,4,5,5,6,6,6-nonafluorohexyl)silane?

The InChIKey is NAYIOMMTOJFKFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F17O3Si.C12H19F9O3Si/c1-4-34-37(35-5-2,36-6-3)8-7-9(17,18)10(19,20)11(21,22)12(23,24)13(25,26)14(27,28)15(29,30)16(31,32)33;1-4-22-25(23-5-2,24-6-3)8-7-9(13,14)10(15,16)11(17,18)12(19,20)21/h4-8H2,1-3H3;4-8H2,1-3H3.

What are the key properties of triethoxy(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)silane;triethoxy(3,3,4,4,5,5,6,6,6-nonafluorohexyl)silane?

triethoxy(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)silane;triethoxy(3,3,4,4,5,5,6,6,6-nonafluorohexyl)silane has a molecular weight of 1020.73 g/mol, XLogP of 12.33, 26 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for triethoxy(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)silane;triethoxy(3,3,4,4,5,5,6,6,6-nonafluorohexyl)silane is sourced from PubChem (CID 159728593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).