methoxy-propan-2-yloxy-propyl-[3,4,4,5,5,6,6,7,7,8,8,9,9,9-tetradecafluoro-2-methyl-3-(trifluoromethyl)nonan-2-yl]oxysilane

C18H23F17O3Si — CID 89407147

About methoxy-propan-2-yloxy-propyl-[3,4,4,5,5,6,6,7,7,8,8,9,9,9-tetradecafluoro-2-methyl-3-(trifluoromethyl)nonan-2-yl]oxysilane

methoxy-propan-2-yloxy-propyl-[3,4,4,5,5,6,6,7,7,8,8,9,9,9-tetradecafluoro-2-methyl-3-(trifluoromethyl)nonan-2-yl]oxysilane (PubChem CID 89407147) has the molecular formula C18H23F17O3Si and a molecular weight of 638.43 g/mol. Its IUPAC name is methoxy-propan-2-yloxy-propyl-[3,4,4,5,5,6,6,7,7,8,8,9,9,9-tetradecafluoro-2-methyl-3-(trifluoromethyl)nonan-2-yl]oxysilane.

Molecular Properties

• Compound Name: methoxy-propan-2-yloxy-propyl-[3,4,4,5,5,6,6,7,7,8,8,9,9,9-tetradecafluoro-2-methyl-3-(trifluoromethyl)nonan-2-yl]oxysilane
• PubChem CID: 89407147
• Molecular Formula: C18H23F17O3Si
• Molecular Weight: 638.43 g/mol
• Exact Mass: 638.11
• IUPAC Name: methoxy-propan-2-yloxy-propyl-[3,4,4,5,5,6,6,7,7,8,8,9,9,9-tetradecafluoro-2-methyl-3-(trifluoromethyl)nonan-2-yl]oxysilane
• SMILES: CCC[Si](OC)(OC(C)C)OC(C)(C)C(F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
• InChI: InChI=1S/C18H23F17O3Si/c1-7-8-39(36-6,37-9(2)3)38-10(4,5)11(19,17(30,31)32)12(20,21)13(22,23)14(24,25)15(26,27)16(28,29)18(33,34)35/h9H,7-8H2,1-6H3
• InChIKey: ZZLJEZTYFLEZNY-UHFFFAOYSA-N
• XLogP: 8.21
• TPSA: 27.69 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 13
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	638.43
LogP ≤ 5	8.21
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 methoxy-propan-2-yloxy-propyl-[3,4,4,5,5,6,6,7,7,8,8,9,9,9-tetradecafluoro-2-methyl-3-(trifluoromethyl)nonan-2-yl]oxysilane?

The IUPAC name of methoxy-propan-2-yloxy-propyl-[3,4,4,5,5,6,6,7,7,8,8,9,9,9-tetradecafluoro-2-methyl-3-(trifluoromethyl)nonan-2-yl]oxysilane (CID 89407147) is methoxy-propan-2-yloxy-propyl-[3,4,4,5,5,6,6,7,7,8,8,9,9,9-tetradecafluoro-2-methyl-3-(trifluoromethyl)nonan-2-yl]oxysilane.

What is the SMILES notation for methoxy-propan-2-yloxy-propyl-[3,4,4,5,5,6,6,7,7,8,8,9,9,9-tetradecafluoro-2-methyl-3-(trifluoromethyl)nonan-2-yl]oxysilane?

The canonical SMILES for methoxy-propan-2-yloxy-propyl-[3,4,4,5,5,6,6,7,7,8,8,9,9,9-tetradecafluoro-2-methyl-3-(trifluoromethyl)nonan-2-yl]oxysilane is CCC[Si](OC)(OC(C)C)OC(C)(C)C(F)(C(F)(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 methoxy-propan-2-yloxy-propyl-[3,4,4,5,5,6,6,7,7,8,8,9,9,9-tetradecafluoro-2-methyl-3-(trifluoromethyl)nonan-2-yl]oxysilane?

The InChIKey is ZZLJEZTYFLEZNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F17O3Si/c1-7-8-39(36-6,37-9(2)3)38-10(4,5)11(19,17(30,31)32)12(20,21)13(22,23)14(24,25)15(26,27)16(28,29)18(33,34)35/h9H,7-8H2,1-6H3.

What are the key properties of methoxy-propan-2-yloxy-propyl-[3,4,4,5,5,6,6,7,7,8,8,9,9,9-tetradecafluoro-2-methyl-3-(trifluoromethyl)nonan-2-yl]oxysilane?

methoxy-propan-2-yloxy-propyl-[3,4,4,5,5,6,6,7,7,8,8,9,9,9-tetradecafluoro-2-methyl-3-(trifluoromethyl)nonan-2-yl]oxysilane has a molecular weight of 638.43 g/mol, XLogP of 8.21, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for methoxy-propan-2-yloxy-propyl-[3,4,4,5,5,6,6,7,7,8,8,9,9,9-tetradecafluoro-2-methyl-3-(trifluoromethyl)nonan-2-yl]oxysilane is sourced from PubChem (CID 89407147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).