2-[dimethyl(trimethylsilyl)silyl]oxy-1-[4-[4-(4-fluorobenzoyl)phenyl]sulfanylphenyl]-2-methylpropan-1-one

C28H33FO3SSi2 — CID 170982822

IUPAC2-[dimethyl(trimethylsilyl)silyl]oxy-1-[4-[4-(4-fluorobenzoyl)phenyl]sulfanylphenyl]-2-methylpropan-1-one
SMILESCC(C)(O[Si](C)(C)[Si](C)(C)C)C(=O)c1ccc(Sc2ccc(C(=O)c3ccc(F)cc3)cc2)cc1
InChIInChI=1S/C28H33FO3SSi2/c1-28(2,32-35(6,7)34(3,4)5)27(31)22-12-18-25(19-13-22)33-24-16-10-21(11-17-24)26(30)20-8-14-23(29)15-9-20/h8-19H,1-7H3
InChIKeyGDMFVDINUKZTMZ-UHFFFAOYSA-N
MW524.81 g/mol
LogP7.81
Rot. Bonds9

About 2-[dimethyl(trimethylsilyl)silyl]oxy-1-[4-[4-(4-fluorobenzoyl)phenyl]sulfanylphenyl]-2-methylpropan-1-one

2-[dimethyl(trimethylsilyl)silyl]oxy-1-[4-[4-(4-fluorobenzoyl)phenyl]sulfanylphenyl]-2-methylpropan-1-one (PubChem CID 170982822) has the molecular formula C28H33FO3SSi2 and a molecular weight of 524.81 g/mol. Its IUPAC name is 2-[dimethyl(trimethylsilyl)silyl]oxy-1-[4-[4-(4-fluorobenzoyl)phenyl]sulfanylphenyl]-2-methylpropan-1-one.

Molecular Properties

Compound Name2-[dimethyl(trimethylsilyl)silyl]oxy-1-[4-[4-(4-fluorobenzoyl)phenyl]sulfanylphenyl]-2-methylpropan-1-one
PubChem CID170982822
Molecular FormulaC28H33FO3SSi2
Molecular Weight524.81 g/mol
Exact Mass524.17
IUPAC Name2-[dimethyl(trimethylsilyl)silyl]oxy-1-[4-[4-(4-fluorobenzoyl)phenyl]sulfanylphenyl]-2-methylpropan-1-one
SMILESCC(C)(O[Si](C)(C)[Si](C)(C)C)C(=O)c1ccc(Sc2ccc(C(=O)c3ccc(F)cc3)cc2)cc1
InChIInChI=1S/C28H33FO3SSi2/c1-28(2,32-35(6,7)34(3,4)5)27(31)22-12-18-25(19-13-22)33-24-16-10-21(11-17-24)26(30)20-8-14-23(29)15-9-20/h8-19H,1-7H3
InChIKeyGDMFVDINUKZTMZ-UHFFFAOYSA-N
XLogP7.81
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.81
LogP ≤ 57.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 2-[dimethyl(trimethylsilyl)silyl]oxy-1-[4-[4-(4-fluorobenzoyl)phenyl]sulfanylphenyl]-2-methylpropan-1-one?
The IUPAC name of 2-[dimethyl(trimethylsilyl)silyl]oxy-1-[4-[4-(4-fluorobenzoyl)phenyl]sulfanylphenyl]-2-methylpropan-1-one (CID 170982822) is 2-[dimethyl(trimethylsilyl)silyl]oxy-1-[4-[4-(4-fluorobenzoyl)phenyl]sulfanylphenyl]-2-methylpropan-1-one.
What is the SMILES notation for 2-[dimethyl(trimethylsilyl)silyl]oxy-1-[4-[4-(4-fluorobenzoyl)phenyl]sulfanylphenyl]-2-methylpropan-1-one?
The canonical SMILES for 2-[dimethyl(trimethylsilyl)silyl]oxy-1-[4-[4-(4-fluorobenzoyl)phenyl]sulfanylphenyl]-2-methylpropan-1-one is CC(C)(O[Si](C)(C)[Si](C)(C)C)C(=O)c1ccc(Sc2ccc(C(=O)c3ccc(F)cc3)cc2)cc1.
What is the InChIKey of 2-[dimethyl(trimethylsilyl)silyl]oxy-1-[4-[4-(4-fluorobenzoyl)phenyl]sulfanylphenyl]-2-methylpropan-1-one?
The InChIKey is GDMFVDINUKZTMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33FO3SSi2/c1-28(2,32-35(6,7)34(3,4)5)27(31)22-12-18-25(19-13-22)33-24-16-10-21(11-17-24)26(30)20-8-14-23(29)15-9-20/h8-19H,1-7H3.
What are the key properties of 2-[dimethyl(trimethylsilyl)silyl]oxy-1-[4-[4-(4-fluorobenzoyl)phenyl]sulfanylphenyl]-2-methylpropan-1-one?
2-[dimethyl(trimethylsilyl)silyl]oxy-1-[4-[4-(4-fluorobenzoyl)phenyl]sulfanylphenyl]-2-methylpropan-1-one has a molecular weight of 524.81 g/mol, XLogP of 7.81, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[dimethyl(trimethylsilyl)silyl]oxy-1-[4-[4-(4-fluorobenzoyl)phenyl]sulfanylphenyl]-2-methylpropan-1-one is sourced from PubChem (CID 170982822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).