tert-butyl-[3-(3-fluoro-4-phenylphenyl)butoxy]-dimethylsilane

C22H31FOSi — CID 135032855

IUPACtert-butyl-[3-(3-fluoro-4-phenylphenyl)butoxy]-dimethylsilane
SMILESCC(CCO[Si](C)(C)C(C)(C)C)c1ccc(-c2ccccc2)c(F)c1
InChIInChI=1S/C22H31FOSi/c1-17(14-15-24-25(5,6)22(2,3)4)19-12-13-20(21(23)16-19)18-10-8-7-9-11-18/h7-13,16-17H,14-15H2,1-6H3
InChIKeyMCOZNFVENXADED-UHFFFAOYSA-N
MW358.57 g/mol
LogP7.01
Rot. Bonds6

About tert-butyl-[3-(3-fluoro-4-phenylphenyl)butoxy]-dimethylsilane

tert-butyl-[3-(3-fluoro-4-phenylphenyl)butoxy]-dimethylsilane (PubChem CID 135032855) has the molecular formula C22H31FOSi and a molecular weight of 358.57 g/mol. Its IUPAC name is tert-butyl-[3-(3-fluoro-4-phenylphenyl)butoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[3-(3-fluoro-4-phenylphenyl)butoxy]-dimethylsilane
PubChem CID135032855
Molecular FormulaC22H31FOSi
Molecular Weight358.57 g/mol
Exact Mass358.21
IUPAC Nametert-butyl-[3-(3-fluoro-4-phenylphenyl)butoxy]-dimethylsilane
SMILESCC(CCO[Si](C)(C)C(C)(C)C)c1ccc(-c2ccccc2)c(F)c1
InChIInChI=1S/C22H31FOSi/c1-17(14-15-24-25(5,6)22(2,3)4)19-12-13-20(21(23)16-19)18-10-8-7-9-11-18/h7-13,16-17H,14-15H2,1-6H3
InChIKeyMCOZNFVENXADED-UHFFFAOYSA-N
XLogP7.01
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.57
LogP ≤ 57.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[3-(3-fluoro-4-phenylphenyl)butoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[3-(3-fluoro-4-phenylphenyl)butoxy]-dimethylsilane (CID 135032855) is tert-butyl-[3-(3-fluoro-4-phenylphenyl)butoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[3-(3-fluoro-4-phenylphenyl)butoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[3-(3-fluoro-4-phenylphenyl)butoxy]-dimethylsilane is CC(CCO[Si](C)(C)C(C)(C)C)c1ccc(-c2ccccc2)c(F)c1.
What is the InChIKey of tert-butyl-[3-(3-fluoro-4-phenylphenyl)butoxy]-dimethylsilane?
The InChIKey is MCOZNFVENXADED-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31FOSi/c1-17(14-15-24-25(5,6)22(2,3)4)19-12-13-20(21(23)16-19)18-10-8-7-9-11-18/h7-13,16-17H,14-15H2,1-6H3.
What are the key properties of tert-butyl-[3-(3-fluoro-4-phenylphenyl)butoxy]-dimethylsilane?
tert-butyl-[3-(3-fluoro-4-phenylphenyl)butoxy]-dimethylsilane has a molecular weight of 358.57 g/mol, XLogP of 7.01, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[3-(3-fluoro-4-phenylphenyl)butoxy]-dimethylsilane is sourced from PubChem (CID 135032855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).