triethyl(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-pentacosafluorododecyl)silane

C18H15F25Si — CID 175552208

About triethyl(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-pentacosafluorododecyl)silane

triethyl(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-pentacosafluorododecyl)silane (PubChem CID 175552208) has the molecular formula C18H15F25Si and a molecular weight of 734.35 g/mol. Its IUPAC name is triethyl(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-pentacosafluorododecyl)silane.

Molecular Properties

• Compound Name: triethyl(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-pentacosafluorododecyl)silane
• PubChem CID: 175552208
• Molecular Formula: C18H15F25Si
• Molecular Weight: 734.35 g/mol
• Exact Mass: 734.05
• IUPAC Name: triethyl(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-pentacosafluorododecyl)silane
• SMILES: CC[Si](CC)(CC)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(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/C18H15F25Si/c1-4-44(5-2,6-3)18(42,43)16(37,38)14(33,34)12(29,30)10(25,26)8(21,22)7(19,20)9(23,24)11(27,28)13(31,32)15(35,36)17(39,40)41/h4-6H2,1-3H3
• InChIKey: IGKKGJARXFSTOS-UHFFFAOYSA-N
• XLogP: 10.58
• TPSA: 0.00 Ų
• Rotatable Bonds: 14
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	734.35
LogP ≤ 5	10.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

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 triethyl(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-pentacosafluorododecyl)silane?

The IUPAC name of triethyl(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-pentacosafluorododecyl)silane (CID 175552208) is triethyl(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-pentacosafluorododecyl)silane.

What is the SMILES notation for triethyl(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-pentacosafluorododecyl)silane?

The canonical SMILES for triethyl(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-pentacosafluorododecyl)silane is CC[Si](CC)(CC)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(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 triethyl(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-pentacosafluorododecyl)silane?

The InChIKey is IGKKGJARXFSTOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F25Si/c1-4-44(5-2,6-3)18(42,43)16(37,38)14(33,34)12(29,30)10(25,26)8(21,22)7(19,20)9(23,24)11(27,28)13(31,32)15(35,36)17(39,40)41/h4-6H2,1-3H3.

What are the key properties of triethyl(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-pentacosafluorododecyl)silane?

triethyl(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-pentacosafluorododecyl)silane has a molecular weight of 734.35 g/mol, XLogP of 10.58, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for triethyl(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-pentacosafluorododecyl)silane is sourced from PubChem (CID 175552208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).