5-(4-trimethylsilylphenyl)sulfanylhexan-3-one

C15H24OSSi — CID 11150208

IUPAC5-(4-trimethylsilylphenyl)sulfanylhexan-3-one
SMILESCCC(=O)CC(C)Sc1ccc([Si](C)(C)C)cc1
InChIInChI=1S/C15H24OSSi/c1-6-13(16)11-12(2)17-14-7-9-15(10-8-14)18(3,4)5/h7-10,12H,6,11H2,1-5H3
InChIKeyRSCAXWWRBHPKBZ-UHFFFAOYSA-N
MW280.51 g/mol
LogP4.08
Rot. Bonds6

About 5-(4-trimethylsilylphenyl)sulfanylhexan-3-one

5-(4-trimethylsilylphenyl)sulfanylhexan-3-one (PubChem CID 11150208) has the molecular formula C15H24OSSi and a molecular weight of 280.51 g/mol. Its IUPAC name is 5-(4-trimethylsilylphenyl)sulfanylhexan-3-one.

Molecular Properties

Compound Name5-(4-trimethylsilylphenyl)sulfanylhexan-3-one
PubChem CID11150208
Molecular FormulaC15H24OSSi
Molecular Weight280.51 g/mol
Exact Mass280.13
IUPAC Name5-(4-trimethylsilylphenyl)sulfanylhexan-3-one
SMILESCCC(=O)CC(C)Sc1ccc([Si](C)(C)C)cc1
InChIInChI=1S/C15H24OSSi/c1-6-13(16)11-12(2)17-14-7-9-15(10-8-14)18(3,4)5/h7-10,12H,6,11H2,1-5H3
InChIKeyRSCAXWWRBHPKBZ-UHFFFAOYSA-N
XLogP4.08
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.51
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-Phenylthiopropan-2-one
CID 247129
(4-Fluorophenylthio)propan-2-one
CID 2737496
4-(Phenylsulfanyl)but-3-en-2-one
CID 6269152
2-(Phenylthio)cyclododecanone
CID 317517
5-Benzenesulfonylpentan-2-one
CID 345621
3-Buten-2-one, 4-(phenylthio)-
CID 5095961
Silane, trimethyl(4-(methylthio)phenyl)-
CID 140932
4-(Phenylsulfanyl)butan-2-one
CID 239872
S-phenyl propanethioate
CID 4327889
3-Methyl-1-phenylsulfanyl-butan-2-one
CID 551265
Silane, trimethyl[2-(phenylthio)ethoxy]-
CID 553448
Cyclopentanone, 2-(phenylthio)-
CID 586052

Frequently Asked Questions

What is the IUPAC name of 5-(4-trimethylsilylphenyl)sulfanylhexan-3-one?
The IUPAC name of 5-(4-trimethylsilylphenyl)sulfanylhexan-3-one (CID 11150208) is 5-(4-trimethylsilylphenyl)sulfanylhexan-3-one.
What is the SMILES notation for 5-(4-trimethylsilylphenyl)sulfanylhexan-3-one?
The canonical SMILES for 5-(4-trimethylsilylphenyl)sulfanylhexan-3-one is CCC(=O)CC(C)Sc1ccc([Si](C)(C)C)cc1.
What is the InChIKey of 5-(4-trimethylsilylphenyl)sulfanylhexan-3-one?
The InChIKey is RSCAXWWRBHPKBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24OSSi/c1-6-13(16)11-12(2)17-14-7-9-15(10-8-14)18(3,4)5/h7-10,12H,6,11H2,1-5H3.
What are the key properties of 5-(4-trimethylsilylphenyl)sulfanylhexan-3-one?
5-(4-trimethylsilylphenyl)sulfanylhexan-3-one has a molecular weight of 280.51 g/mol, XLogP of 4.08, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-trimethylsilylphenyl)sulfanylhexan-3-one is sourced from PubChem (CID 11150208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).