dibutyl-fluoro-(4-triethylsilylbutyl)silane

C18H41FSi2 — CID 140812898

IUPACdibutyl-fluoro-(4-triethylsilylbutyl)silane
SMILESCCCC[Si](F)(CCCC)CCCC[Si](CC)(CC)CC
InChIInChI=1S/C18H41FSi2/c1-6-11-16-21(19,17-12-7-2)18-14-13-15-20(8-3,9-4)10-5/h6-18H2,1-5H3
InChIKeyDQGLUXSRGHFUOI-UHFFFAOYSA-N
MW332.70 g/mol
LogP7.79
Rot. Bonds14

About dibutyl-fluoro-(4-triethylsilylbutyl)silane

dibutyl-fluoro-(4-triethylsilylbutyl)silane (PubChem CID 140812898) has the molecular formula C18H41FSi2 and a molecular weight of 332.70 g/mol. Its IUPAC name is dibutyl-fluoro-(4-triethylsilylbutyl)silane.

Molecular Properties

Compound Namedibutyl-fluoro-(4-triethylsilylbutyl)silane
PubChem CID140812898
Molecular FormulaC18H41FSi2
Molecular Weight332.70 g/mol
Exact Mass332.27
IUPAC Namedibutyl-fluoro-(4-triethylsilylbutyl)silane
SMILESCCCC[Si](F)(CCCC)CCCC[Si](CC)(CC)CC
InChIInChI=1S/C18H41FSi2/c1-6-11-16-21(19,17-12-7-2)18-14-13-15-20(8-3,9-4)10-5/h6-18H2,1-5H3
InChIKeyDQGLUXSRGHFUOI-UHFFFAOYSA-N
XLogP7.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.70
LogP ≤ 57.79
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': 'silicon_halogen', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dibutyl-fluoro-(4-triethylsilylbutyl)silane?
The IUPAC name of dibutyl-fluoro-(4-triethylsilylbutyl)silane (CID 140812898) is dibutyl-fluoro-(4-triethylsilylbutyl)silane.
What is the SMILES notation for dibutyl-fluoro-(4-triethylsilylbutyl)silane?
The canonical SMILES for dibutyl-fluoro-(4-triethylsilylbutyl)silane is CCCC[Si](F)(CCCC)CCCC[Si](CC)(CC)CC.
What is the InChIKey of dibutyl-fluoro-(4-triethylsilylbutyl)silane?
The InChIKey is DQGLUXSRGHFUOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H41FSi2/c1-6-11-16-21(19,17-12-7-2)18-14-13-15-20(8-3,9-4)10-5/h6-18H2,1-5H3.
What are the key properties of dibutyl-fluoro-(4-triethylsilylbutyl)silane?
dibutyl-fluoro-(4-triethylsilylbutyl)silane has a molecular weight of 332.70 g/mol, XLogP of 7.79, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dibutyl-fluoro-(4-triethylsilylbutyl)silane is sourced from PubChem (CID 140812898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).