[(E)-3-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecoxy)prop-1-enyl]-methyl-bis(trimethylsilyloxy)silane

C20H29F17O3Si3 — CID 102242168

About [(E)-3-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecoxy)prop-1-enyl]-methyl-bis(trimethylsilyloxy)silane

[(E)-3-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecoxy)prop-1-enyl]-methyl-bis(trimethylsilyloxy)silane (PubChem CID 102242168) has the molecular formula C20H29F17O3Si3 and a molecular weight of 724.67 g/mol. Its IUPAC name is [(E)-3-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecoxy)prop-1-enyl]-methyl-bis(trimethylsilyloxy)silane.

Molecular Properties

• Compound Name: [(E)-3-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecoxy)prop-1-enyl]-methyl-bis(trimethylsilyloxy)silane
• PubChem CID: 102242168
• Molecular Formula: C20H29F17O3Si3
• Molecular Weight: 724.67 g/mol
• Exact Mass: 724.12
• IUPAC Name: [(E)-3-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecoxy)prop-1-enyl]-methyl-bis(trimethylsilyloxy)silane
• SMILES: C[Si](C)(C)O[Si](C)(/C=C/COCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)O[Si](C)(C)C
• InChI: InChI=1S/C20H29F17O3Si3/c1-41(2,3)39-43(7,40-42(4,5)6)12-8-10-38-11-9-13(21,22)14(23,24)15(25,26)16(27,28)17(29,30)18(31,32)19(33,34)20(35,36)37/h8,12H,9-11H2,1-7H3/b12-8+
• InChIKey: FNVDBMKHIQZTFX-XYOKQWHBSA-N
• XLogP: 9.27
• TPSA: 27.69 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 16
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	724.67
LogP ≤ 5	9.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

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 [(E)-3-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecoxy)prop-1-enyl]-methyl-bis(trimethylsilyloxy)silane?

The IUPAC name of [(E)-3-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecoxy)prop-1-enyl]-methyl-bis(trimethylsilyloxy)silane (CID 102242168) is [(E)-3-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecoxy)prop-1-enyl]-methyl-bis(trimethylsilyloxy)silane.

What is the SMILES notation for [(E)-3-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecoxy)prop-1-enyl]-methyl-bis(trimethylsilyloxy)silane?

The canonical SMILES for [(E)-3-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecoxy)prop-1-enyl]-methyl-bis(trimethylsilyloxy)silane is C[Si](C)(C)O[Si](C)(/C=C/COCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)O[Si](C)(C)C.

What is the InChIKey of [(E)-3-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecoxy)prop-1-enyl]-methyl-bis(trimethylsilyloxy)silane?

The InChIKey is FNVDBMKHIQZTFX-XYOKQWHBSA-N. The full InChI is InChI=1S/C20H29F17O3Si3/c1-41(2,3)39-43(7,40-42(4,5)6)12-8-10-38-11-9-13(21,22)14(23,24)15(25,26)16(27,28)17(29,30)18(31,32)19(33,34)20(35,36)37/h8,12H,9-11H2,1-7H3/b12-8+.

What are the key properties of [(E)-3-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecoxy)prop-1-enyl]-methyl-bis(trimethylsilyloxy)silane?

[(E)-3-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecoxy)prop-1-enyl]-methyl-bis(trimethylsilyloxy)silane has a molecular weight of 724.67 g/mol, XLogP of 9.27, 16 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [(E)-3-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecoxy)prop-1-enyl]-methyl-bis(trimethylsilyloxy)silane is sourced from PubChem (CID 102242168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).