Triethoxy-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-14-triethoxysilyltetradecyl)silane

C₂₆H₄₂F₁₆O₆Si₂ — CID 154926672

About Triethoxy-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-14-triethoxysilyltetradecyl)silane

Triethoxy-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-14-triethoxysilyltetradecyl)silane (PubChem CID 154926672) has the molecular formula C₂₆H₄₂F₁₆O₆Si₂ and a molecular weight of 810.76 g/mol. Its IUPAC name is triethoxy-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-14-triethoxysilyltetradecyl)silane.

Molecular Properties

• Compound Name: Triethoxy-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-14-triethoxysilyltetradecyl)silane
• PubChem CID: 154926672
• Molecular Formula: C₂₆H₄₂F₁₆O₆Si₂
• Molecular Weight: 810.76 g/mol
• Exact Mass: 810.23
• IUPAC Name: triethoxy-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-14-triethoxysilyltetradecyl)silane
• SMILES: CCO[Si](CCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)[Si](OCC)(OCC)OCC)(OCC)OCC
• InChI: InChI=1S/C26H42F16O6Si2/c1-7-43-49(44-8-2,45-9-3)18-16-14-13-15-17-19(27,28)20(29,30)21(31,32)22(33,34)23(35,36)24(37,38)25(39,40)26(41,42)50(46-10-4,47-11-5)48-12-6/h7-18H2,1-6H3
• InChIKey: DEUQGYXPHDHPSB-UHFFFAOYSA-N
• XLogP: 9.66
• TPSA: 55.38 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 27
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	810.76
LogP ≤ 5	9.66
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Triethoxy-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-14-triethoxysilyltetradecyl)silane?

The IUPAC name of Triethoxy-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-14-triethoxysilyltetradecyl)silane (CID 154926672) is triethoxy-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-14-triethoxysilyltetradecyl)silane.

What is the SMILES notation for Triethoxy-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-14-triethoxysilyltetradecyl)silane?

The canonical SMILES for Triethoxy-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-14-triethoxysilyltetradecyl)silane is CCO[Si](CCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)[Si](OCC)(OCC)OCC)(OCC)OCC.

What is the InChIKey of Triethoxy-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-14-triethoxysilyltetradecyl)silane?

The InChIKey is DEUQGYXPHDHPSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H42F16O6Si2/c1-7-43-49(44-8-2,45-9-3)18-16-14-13-15-17-19(27,28)20(29,30)21(31,32)22(33,34)23(35,36)24(37,38)25(39,40)26(41,42)50(46-10-4,47-11-5)48-12-6/h7-18H2,1-6H3.

What are the key properties of Triethoxy-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-14-triethoxysilyltetradecyl)silane?

Triethoxy-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-14-triethoxysilyltetradecyl)silane has a molecular weight of 810.76 g/mol, XLogP of 9.66, 27 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for Triethoxy-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-14-triethoxysilyltetradecyl)silane is sourced from PubChem (CID 154926672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 154926672 — identifiers, structure, computed properties (public domain)

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