dimethyl-(1,1,2,2,3,3,4,4,5-nonafluorohexyl)-non-8-enylsilane

C17H27F9Si — CID 54370098

IUPACdimethyl-(1,1,2,2,3,3,4,4,5-nonafluorohexyl)-non-8-enylsilane
SMILESC=CCCCCCCC[Si](C)(C)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(C)F
InChIInChI=1S/C17H27F9Si/c1-5-6-7-8-9-10-11-12-27(3,4)17(25,26)16(23,24)15(21,22)14(19,20)13(2)18/h5,13H,1,6-12H2,2-4H3
InChIKeyUSONXEFCTJEZKX-UHFFFAOYSA-N
MW430.47 g/mol
LogP7.66
Rot. Bonds13

About dimethyl-(1,1,2,2,3,3,4,4,5-nonafluorohexyl)-non-8-enylsilane

dimethyl-(1,1,2,2,3,3,4,4,5-nonafluorohexyl)-non-8-enylsilane (PubChem CID 54370098) has the molecular formula C17H27F9Si and a molecular weight of 430.47 g/mol. Its IUPAC name is dimethyl-(1,1,2,2,3,3,4,4,5-nonafluorohexyl)-non-8-enylsilane.

Molecular Properties

Compound Namedimethyl-(1,1,2,2,3,3,4,4,5-nonafluorohexyl)-non-8-enylsilane
PubChem CID54370098
Molecular FormulaC17H27F9Si
Molecular Weight430.47 g/mol
Exact Mass430.17
IUPAC Namedimethyl-(1,1,2,2,3,3,4,4,5-nonafluorohexyl)-non-8-enylsilane
SMILESC=CCCCCCCC[Si](C)(C)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(C)F
InChIInChI=1S/C17H27F9Si/c1-5-6-7-8-9-10-11-12-27(3,4)17(25,26)16(23,24)15(21,22)14(19,20)13(2)18/h5,13H,1,6-12H2,2-4H3
InChIKeyUSONXEFCTJEZKX-UHFFFAOYSA-N
XLogP7.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.47
LogP ≤ 57.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dimethyl-(1,1,2,2,3,3,4,4,5-nonafluorohexyl)-non-8-enylsilane?
The IUPAC name of dimethyl-(1,1,2,2,3,3,4,4,5-nonafluorohexyl)-non-8-enylsilane (CID 54370098) is dimethyl-(1,1,2,2,3,3,4,4,5-nonafluorohexyl)-non-8-enylsilane.
What is the SMILES notation for dimethyl-(1,1,2,2,3,3,4,4,5-nonafluorohexyl)-non-8-enylsilane?
The canonical SMILES for dimethyl-(1,1,2,2,3,3,4,4,5-nonafluorohexyl)-non-8-enylsilane is C=CCCCCCCC[Si](C)(C)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(C)F.
What is the InChIKey of dimethyl-(1,1,2,2,3,3,4,4,5-nonafluorohexyl)-non-8-enylsilane?
The InChIKey is USONXEFCTJEZKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27F9Si/c1-5-6-7-8-9-10-11-12-27(3,4)17(25,26)16(23,24)15(21,22)14(19,20)13(2)18/h5,13H,1,6-12H2,2-4H3.
What are the key properties of dimethyl-(1,1,2,2,3,3,4,4,5-nonafluorohexyl)-non-8-enylsilane?
dimethyl-(1,1,2,2,3,3,4,4,5-nonafluorohexyl)-non-8-enylsilane has a molecular weight of 430.47 g/mol, XLogP of 7.66, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-(1,1,2,2,3,3,4,4,5-nonafluorohexyl)-non-8-enylsilane is sourced from PubChem (CID 54370098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).