5-[tert-butyl(dimethyl)silyl]oxy-5-(4-fluorophenyl)pentan-2-one

C17H27FO2Si — CID 134962224

IUPAC5-[tert-butyl(dimethyl)silyl]oxy-5-(4-fluorophenyl)pentan-2-one
SMILESCC(=O)CCC(O[Si](C)(C)C(C)(C)C)c1ccc(F)cc1
InChIInChI=1S/C17H27FO2Si/c1-13(19)7-12-16(14-8-10-15(18)11-9-14)20-21(5,6)17(2,3)4/h8-11,16H,7,12H2,1-6H3
InChIKeyGHSXDWMVWIZKCR-UHFFFAOYSA-N
MW310.49 g/mol
LogP5.26
Rot. Bonds6

About 5-[tert-butyl(dimethyl)silyl]oxy-5-(4-fluorophenyl)pentan-2-one

5-[tert-butyl(dimethyl)silyl]oxy-5-(4-fluorophenyl)pentan-2-one (PubChem CID 134962224) has the molecular formula C17H27FO2Si and a molecular weight of 310.49 g/mol. Its IUPAC name is 5-[tert-butyl(dimethyl)silyl]oxy-5-(4-fluorophenyl)pentan-2-one.

Molecular Properties

Compound Name5-[tert-butyl(dimethyl)silyl]oxy-5-(4-fluorophenyl)pentan-2-one
PubChem CID134962224
Molecular FormulaC17H27FO2Si
Molecular Weight310.49 g/mol
Exact Mass310.18
IUPAC Name5-[tert-butyl(dimethyl)silyl]oxy-5-(4-fluorophenyl)pentan-2-one
SMILESCC(=O)CCC(O[Si](C)(C)C(C)(C)C)c1ccc(F)cc1
InChIInChI=1S/C17H27FO2Si/c1-13(19)7-12-16(14-8-10-15(18)11-9-14)20-21(5,6)17(2,3)4/h8-11,16H,7,12H2,1-6H3
InChIKeyGHSXDWMVWIZKCR-UHFFFAOYSA-N
XLogP5.26
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.49
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 5-[tert-butyl(dimethyl)silyl]oxy-5-(4-fluorophenyl)pentan-2-one?
The IUPAC name of 5-[tert-butyl(dimethyl)silyl]oxy-5-(4-fluorophenyl)pentan-2-one (CID 134962224) is 5-[tert-butyl(dimethyl)silyl]oxy-5-(4-fluorophenyl)pentan-2-one.
What is the SMILES notation for 5-[tert-butyl(dimethyl)silyl]oxy-5-(4-fluorophenyl)pentan-2-one?
The canonical SMILES for 5-[tert-butyl(dimethyl)silyl]oxy-5-(4-fluorophenyl)pentan-2-one is CC(=O)CCC(O[Si](C)(C)C(C)(C)C)c1ccc(F)cc1.
What is the InChIKey of 5-[tert-butyl(dimethyl)silyl]oxy-5-(4-fluorophenyl)pentan-2-one?
The InChIKey is GHSXDWMVWIZKCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FO2Si/c1-13(19)7-12-16(14-8-10-15(18)11-9-14)20-21(5,6)17(2,3)4/h8-11,16H,7,12H2,1-6H3.
What are the key properties of 5-[tert-butyl(dimethyl)silyl]oxy-5-(4-fluorophenyl)pentan-2-one?
5-[tert-butyl(dimethyl)silyl]oxy-5-(4-fluorophenyl)pentan-2-one has a molecular weight of 310.49 g/mol, XLogP of 5.26, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[tert-butyl(dimethyl)silyl]oxy-5-(4-fluorophenyl)pentan-2-one is sourced from PubChem (CID 134962224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).