diethoxy-fluoro-(9-methyldocosan-9-yloxy)silane

C27H57FO3Si — CID 172682134

IUPACdiethoxy-fluoro-(9-methyldocosan-9-yloxy)silane
SMILESCCCCCCCCCCCCCC(C)(CCCCCCCC)O[Si](F)(OCC)OCC
InChIInChI=1S/C27H57FO3Si/c1-6-10-12-14-16-17-18-19-20-22-24-26-27(5,25-23-21-15-13-11-7-2)31-32(28,29-8-3)30-9-4/h6-26H2,1-5H3
InChIKeyANXNLTBOMDMWIM-UHFFFAOYSA-N
MW476.83 g/mol
LogP9.69
Rot. Bonds25

About diethoxy-fluoro-(9-methyldocosan-9-yloxy)silane

diethoxy-fluoro-(9-methyldocosan-9-yloxy)silane (PubChem CID 172682134) has the molecular formula C27H57FO3Si and a molecular weight of 476.83 g/mol. Its IUPAC name is diethoxy-fluoro-(9-methyldocosan-9-yloxy)silane.

Molecular Properties

Compound Namediethoxy-fluoro-(9-methyldocosan-9-yloxy)silane
PubChem CID172682134
Molecular FormulaC27H57FO3Si
Molecular Weight476.83 g/mol
Exact Mass476.41
IUPAC Namediethoxy-fluoro-(9-methyldocosan-9-yloxy)silane
SMILESCCCCCCCCCCCCCC(C)(CCCCCCCC)O[Si](F)(OCC)OCC
InChIInChI=1S/C27H57FO3Si/c1-6-10-12-14-16-17-18-19-20-22-24-26-27(5,25-23-21-15-13-11-7-2)31-32(28,29-8-3)30-9-4/h6-26H2,1-5H3
InChIKeyANXNLTBOMDMWIM-UHFFFAOYSA-N
XLogP9.69
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds25
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.83
LogP ≤ 59.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of diethoxy-fluoro-(9-methyldocosan-9-yloxy)silane?
The IUPAC name of diethoxy-fluoro-(9-methyldocosan-9-yloxy)silane (CID 172682134) is diethoxy-fluoro-(9-methyldocosan-9-yloxy)silane.
What is the SMILES notation for diethoxy-fluoro-(9-methyldocosan-9-yloxy)silane?
The canonical SMILES for diethoxy-fluoro-(9-methyldocosan-9-yloxy)silane is CCCCCCCCCCCCCC(C)(CCCCCCCC)O[Si](F)(OCC)OCC.
What is the InChIKey of diethoxy-fluoro-(9-methyldocosan-9-yloxy)silane?
The InChIKey is ANXNLTBOMDMWIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H57FO3Si/c1-6-10-12-14-16-17-18-19-20-22-24-26-27(5,25-23-21-15-13-11-7-2)31-32(28,29-8-3)30-9-4/h6-26H2,1-5H3.
What are the key properties of diethoxy-fluoro-(9-methyldocosan-9-yloxy)silane?
diethoxy-fluoro-(9-methyldocosan-9-yloxy)silane has a molecular weight of 476.83 g/mol, XLogP of 9.69, 25 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxy-fluoro-(9-methyldocosan-9-yloxy)silane is sourced from PubChem (CID 172682134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).