[5-fluoro-1,9-bis(trimethoxysilyl)nonan-5-yl]oxy-trimethylsilane

C18H43FO7Si3 — CID 140750844

IUPAC[5-fluoro-1,9-bis(trimethoxysilyl)nonan-5-yl]oxy-trimethylsilane
SMILESCO[Si](CCCCC(F)(CCCC[Si](OC)(OC)OC)O[Si](C)(C)C)(OC)OC
InChIInChI=1S/C18H43FO7Si3/c1-20-28(21-2,22-3)16-12-10-14-18(19,26-27(7,8)9)15-11-13-17-29(23-4,24-5)25-6/h10-17H2,1-9H3
InChIKeyROBPSFQYGOUEEQ-UHFFFAOYSA-N
MW474.79 g/mol
LogP4.60
Rot. Bonds18

About [5-fluoro-1,9-bis(trimethoxysilyl)nonan-5-yl]oxy-trimethylsilane

[5-fluoro-1,9-bis(trimethoxysilyl)nonan-5-yl]oxy-trimethylsilane (PubChem CID 140750844) has the molecular formula C18H43FO7Si3 and a molecular weight of 474.79 g/mol. Its IUPAC name is [5-fluoro-1,9-bis(trimethoxysilyl)nonan-5-yl]oxy-trimethylsilane.

Molecular Properties

Compound Name[5-fluoro-1,9-bis(trimethoxysilyl)nonan-5-yl]oxy-trimethylsilane
PubChem CID140750844
Molecular FormulaC18H43FO7Si3
Molecular Weight474.79 g/mol
Exact Mass474.23
IUPAC Name[5-fluoro-1,9-bis(trimethoxysilyl)nonan-5-yl]oxy-trimethylsilane
SMILESCO[Si](CCCCC(F)(CCCC[Si](OC)(OC)OC)O[Si](C)(C)C)(OC)OC
InChIInChI=1S/C18H43FO7Si3/c1-20-28(21-2,22-3)16-12-10-14-18(19,26-27(7,8)9)15-11-13-17-29(23-4,24-5)25-6/h10-17H2,1-9H3
InChIKeyROBPSFQYGOUEEQ-UHFFFAOYSA-N
XLogP4.60
TPSA64.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds18
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.79
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [5-fluoro-1,9-bis(trimethoxysilyl)nonan-5-yl]oxy-trimethylsilane?
The IUPAC name of [5-fluoro-1,9-bis(trimethoxysilyl)nonan-5-yl]oxy-trimethylsilane (CID 140750844) is [5-fluoro-1,9-bis(trimethoxysilyl)nonan-5-yl]oxy-trimethylsilane.
What is the SMILES notation for [5-fluoro-1,9-bis(trimethoxysilyl)nonan-5-yl]oxy-trimethylsilane?
The canonical SMILES for [5-fluoro-1,9-bis(trimethoxysilyl)nonan-5-yl]oxy-trimethylsilane is CO[Si](CCCCC(F)(CCCC[Si](OC)(OC)OC)O[Si](C)(C)C)(OC)OC.
What is the InChIKey of [5-fluoro-1,9-bis(trimethoxysilyl)nonan-5-yl]oxy-trimethylsilane?
The InChIKey is ROBPSFQYGOUEEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H43FO7Si3/c1-20-28(21-2,22-3)16-12-10-14-18(19,26-27(7,8)9)15-11-13-17-29(23-4,24-5)25-6/h10-17H2,1-9H3.
What are the key properties of [5-fluoro-1,9-bis(trimethoxysilyl)nonan-5-yl]oxy-trimethylsilane?
[5-fluoro-1,9-bis(trimethoxysilyl)nonan-5-yl]oxy-trimethylsilane has a molecular weight of 474.79 g/mol, XLogP of 4.60, 18 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-fluoro-1,9-bis(trimethoxysilyl)nonan-5-yl]oxy-trimethylsilane is sourced from PubChem (CID 140750844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).