1-phenyl-2-tri(propan-2-yl)silylsulfanylethanone

C17H28OSSi — CID 102225694

IUPAC1-phenyl-2-tri(propan-2-yl)silylsulfanylethanone
SMILESCC(C)[Si](SCC(=O)c1ccccc1)(C(C)C)C(C)C
InChIInChI=1S/C17H28OSSi/c1-13(2)20(14(3)4,15(5)6)19-12-17(18)16-10-8-7-9-11-16/h7-11,13-15H,12H2,1-6H3
InChIKeyQOPVHXHKCWQFIA-UHFFFAOYSA-N
MW308.56 g/mol
LogP5.78
Rot. Bonds7

About 1-phenyl-2-tri(propan-2-yl)silylsulfanylethanone

1-phenyl-2-tri(propan-2-yl)silylsulfanylethanone (PubChem CID 102225694) has the molecular formula C17H28OSSi and a molecular weight of 308.56 g/mol. Its IUPAC name is 1-phenyl-2-tri(propan-2-yl)silylsulfanylethanone.

Molecular Properties

Compound Name1-phenyl-2-tri(propan-2-yl)silylsulfanylethanone
PubChem CID102225694
Molecular FormulaC17H28OSSi
Molecular Weight308.56 g/mol
Exact Mass308.16
IUPAC Name1-phenyl-2-tri(propan-2-yl)silylsulfanylethanone
SMILESCC(C)[Si](SCC(=O)c1ccccc1)(C(C)C)C(C)C
InChIInChI=1S/C17H28OSSi/c1-13(2)20(14(3)4,15(5)6)19-12-17(18)16-10-8-7-9-11-16/h7-11,13-15H,12H2,1-6H3
InChIKeyQOPVHXHKCWQFIA-UHFFFAOYSA-N
XLogP5.78
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.56
LogP ≤ 55.78
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 1-phenyl-2-tri(propan-2-yl)silylsulfanylethanone?
The IUPAC name of 1-phenyl-2-tri(propan-2-yl)silylsulfanylethanone (CID 102225694) is 1-phenyl-2-tri(propan-2-yl)silylsulfanylethanone.
What is the SMILES notation for 1-phenyl-2-tri(propan-2-yl)silylsulfanylethanone?
The canonical SMILES for 1-phenyl-2-tri(propan-2-yl)silylsulfanylethanone is CC(C)[Si](SCC(=O)c1ccccc1)(C(C)C)C(C)C.
What is the InChIKey of 1-phenyl-2-tri(propan-2-yl)silylsulfanylethanone?
The InChIKey is QOPVHXHKCWQFIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28OSSi/c1-13(2)20(14(3)4,15(5)6)19-12-17(18)16-10-8-7-9-11-16/h7-11,13-15H,12H2,1-6H3.
What are the key properties of 1-phenyl-2-tri(propan-2-yl)silylsulfanylethanone?
1-phenyl-2-tri(propan-2-yl)silylsulfanylethanone has a molecular weight of 308.56 g/mol, XLogP of 5.78, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-tri(propan-2-yl)silylsulfanylethanone is sourced from PubChem (CID 102225694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).