trimethoxy(1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-pentadecafluorodecyl)silane

C13H15F15O3Si — CID 18671048

About trimethoxy(1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-pentadecafluorodecyl)silane

trimethoxy(1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-pentadecafluorodecyl)silane (PubChem CID 18671048) has the molecular formula C13H15F15O3Si and a molecular weight of 532.32 g/mol. Its IUPAC name is trimethoxy(1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-pentadecafluorodecyl)silane.

Molecular Properties

• Compound Name: trimethoxy(1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-pentadecafluorodecyl)silane
• PubChem CID: 18671048
• Molecular Formula: C13H15F15O3Si
• Molecular Weight: 532.32 g/mol
• Exact Mass: 532.06
• IUPAC Name: trimethoxy(1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-pentadecafluorodecyl)silane
• SMILES: CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)[Si](OC)(OC)OC
• InChI: InChI=1S/C13H15F15O3Si/c1-5-7(15,16)9(19,20)11(23,24)13(27,28)12(25,26)10(21,22)8(17,18)6(14)32(29-2,30-3)31-4/h6H,5H2,1-4H3
• InChIKey: DLJJEUSBVWZLAK-UHFFFAOYSA-N
• XLogP: 5.60
• TPSA: 27.69 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 12
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	532.32
LogP ≤ 5	5.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

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 trimethoxy(1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-pentadecafluorodecyl)silane?

The IUPAC name of trimethoxy(1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-pentadecafluorodecyl)silane (CID 18671048) is trimethoxy(1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-pentadecafluorodecyl)silane.

What is the SMILES notation for trimethoxy(1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-pentadecafluorodecyl)silane?

The canonical SMILES for trimethoxy(1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-pentadecafluorodecyl)silane is CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)[Si](OC)(OC)OC.

What is the InChIKey of trimethoxy(1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-pentadecafluorodecyl)silane?

The InChIKey is DLJJEUSBVWZLAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F15O3Si/c1-5-7(15,16)9(19,20)11(23,24)13(27,28)12(25,26)10(21,22)8(17,18)6(14)32(29-2,30-3)31-4/h6H,5H2,1-4H3.

What are the key properties of trimethoxy(1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-pentadecafluorodecyl)silane?

trimethoxy(1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-pentadecafluorodecyl)silane has a molecular weight of 532.32 g/mol, XLogP of 5.60, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for trimethoxy(1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-pentadecafluorodecyl)silane is sourced from PubChem (CID 18671048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).