triethoxy(1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-hexadecafluorooctyl)silane;triethoxy-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]silane

C24H31F25O6Si2 — CID 159378661

About triethoxy(1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-hexadecafluorooctyl)silane;triethoxy-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]silane

triethoxy(1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-hexadecafluorooctyl)silane;triethoxy-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]silane (PubChem CID 159378661) has the molecular formula C24H31F25O6Si2 and a molecular weight of 946.63 g/mol. Its IUPAC name is triethoxy(1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-hexadecafluorooctyl)silane;triethoxy-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]silane.

Molecular Properties

• Compound Name: triethoxy(1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-hexadecafluorooctyl)silane;triethoxy-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]silane
• PubChem CID: 159378661
• Molecular Formula: C24H31F25O6Si2
• Molecular Weight: 946.63 g/mol
• Exact Mass: 946.13
• IUPAC Name: triethoxy(1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-hexadecafluorooctyl)silane;triethoxy-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]silane
• SMILES: CCO[Si](OCC)(OCC)C(C(F)(F)F)(C(F)(F)F)C(F)(F)F.CCO[Si](OCC)(OCC)C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
• InChI: InChI=1S/C14H16F16O3Si.C10H15F9O3Si/c1-4-31-34(32-5-2,33-6-3)7(15)8(16,17)9(18,19)10(20,21)11(22,23)12(24,25)13(26,27)14(28,29)30;1-4-20-23(21-5-2,22-6-3)7(8(11,12)13,9(14,15)16)10(17,18)19/h7H,4-6H2,1-3H3;4-6H2,1-3H3
• InChIKey: LKQCCPDNLQDOHL-UHFFFAOYSA-N
• XLogP: 10.75
• TPSA: 55.38 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 20
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	946.63
LogP ≤ 5	10.75
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(1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-hexadecafluorooctyl)silane;triethoxy-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]silane?

The IUPAC name of triethoxy(1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-hexadecafluorooctyl)silane;triethoxy-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]silane (CID 159378661) is triethoxy(1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-hexadecafluorooctyl)silane;triethoxy-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]silane.

What is the SMILES notation for triethoxy(1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-hexadecafluorooctyl)silane;triethoxy-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]silane?

The canonical SMILES for triethoxy(1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-hexadecafluorooctyl)silane;triethoxy-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]silane is CCO[Si](OCC)(OCC)C(C(F)(F)F)(C(F)(F)F)C(F)(F)F.CCO[Si](OCC)(OCC)C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.

What is the InChIKey of triethoxy(1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-hexadecafluorooctyl)silane;triethoxy-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]silane?

The InChIKey is LKQCCPDNLQDOHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F16O3Si.C10H15F9O3Si/c1-4-31-34(32-5-2,33-6-3)7(15)8(16,17)9(18,19)10(20,21)11(22,23)12(24,25)13(26,27)14(28,29)30;1-4-20-23(21-5-2,22-6-3)7(8(11,12)13,9(14,15)16)10(17,18)19/h7H,4-6H2,1-3H3;4-6H2,1-3H3.

What are the key properties of triethoxy(1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-hexadecafluorooctyl)silane;triethoxy-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]silane?

triethoxy(1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-hexadecafluorooctyl)silane;triethoxy-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]silane has a molecular weight of 946.63 g/mol, XLogP of 10.75, 20 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for triethoxy(1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-hexadecafluorooctyl)silane;triethoxy-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]silane is sourced from PubChem (CID 159378661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).