2-(3-phenyl-1-phenylsulfanyl-1-trimethylsilylpropyl)cyclohexan-1-one

C24H32OSSi — CID 11825443

IUPAC2-(3-phenyl-1-phenylsulfanyl-1-trimethylsilylpropyl)cyclohexan-1-one
SMILESC[Si](C)(C)C(CCc1ccccc1)(Sc1ccccc1)C1CCCCC1=O
InChIInChI=1S/C24H32OSSi/c1-27(2,3)24(22-16-10-11-17-23(22)25,26-21-14-8-5-9-15-21)19-18-20-12-6-4-7-13-20/h4-9,12-15,22H,10-11,16-19H2,1-3H3
InChIKeyOOVBWPVRSVXQII-UHFFFAOYSA-N
MW396.67 g/mol
LogP6.79
Rot. Bonds7

About 2-(3-phenyl-1-phenylsulfanyl-1-trimethylsilylpropyl)cyclohexan-1-one

2-(3-phenyl-1-phenylsulfanyl-1-trimethylsilylpropyl)cyclohexan-1-one (PubChem CID 11825443) has the molecular formula C24H32OSSi and a molecular weight of 396.67 g/mol. Its IUPAC name is 2-(3-phenyl-1-phenylsulfanyl-1-trimethylsilylpropyl)cyclohexan-1-one.

Molecular Properties

Compound Name2-(3-phenyl-1-phenylsulfanyl-1-trimethylsilylpropyl)cyclohexan-1-one
PubChem CID11825443
Molecular FormulaC24H32OSSi
Molecular Weight396.67 g/mol
Exact Mass396.19
IUPAC Name2-(3-phenyl-1-phenylsulfanyl-1-trimethylsilylpropyl)cyclohexan-1-one
SMILESC[Si](C)(C)C(CCc1ccccc1)(Sc1ccccc1)C1CCCCC1=O
InChIInChI=1S/C24H32OSSi/c1-27(2,3)24(22-16-10-11-17-23(22)25,26-21-14-8-5-9-15-21)19-18-20-12-6-4-7-13-20/h4-9,12-15,22H,10-11,16-19H2,1-3H3
InChIKeyOOVBWPVRSVXQII-UHFFFAOYSA-N
XLogP6.79
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.67
LogP ≤ 56.79
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

4-(4-Methylphenyl)sulfanyl-4-phenylbutan-2-one
CID 3127839
4-Phenyl-5,5,5-tris(phenylsulfanyl)pentan-2-one
CID 329231
3-[1,1-Bis(phenylsulfanyl)ethyl]cyclohexan-1-one
CID 13153796
3-[1-(Phenylsulfanyl)butyl]cyclohexanone
CID 14906258
trans-(3R,5S)-3-[dimethyl(phenyl)silyl]-5-phenylcyclohexan-1-one
CID 127260673
3-Methyl-1-phenyl-2-[phenylsulfanyl(trimethylsilyl)methyl]butan-1-one
CID 135049538
4-Phenyl-1-phenylsulfanylbutan-2-one
CID 10801089
4-Phenyl-4-(phenylsulfanyl)-2-butanone
CID 12754941
S-(4-methylphenyl) 2-phenylpropanethioate
CID 164670935
1-[4-[Fluoro(diphenyl)-lambda4-sulfanyl]phenyl]-3-methylbutan-2-one
CID 164524868
5-Phenyl-1-phenylsulfanylpentan-2-one
CID 10869373
trans-(2R,3S)-3-(2-phenylethyl)-2-phenylsulfanylcyclobutan-1-one
CID 10564866

Frequently Asked Questions

What is the IUPAC name of 2-(3-phenyl-1-phenylsulfanyl-1-trimethylsilylpropyl)cyclohexan-1-one?
The IUPAC name of 2-(3-phenyl-1-phenylsulfanyl-1-trimethylsilylpropyl)cyclohexan-1-one (CID 11825443) is 2-(3-phenyl-1-phenylsulfanyl-1-trimethylsilylpropyl)cyclohexan-1-one.
What is the SMILES notation for 2-(3-phenyl-1-phenylsulfanyl-1-trimethylsilylpropyl)cyclohexan-1-one?
The canonical SMILES for 2-(3-phenyl-1-phenylsulfanyl-1-trimethylsilylpropyl)cyclohexan-1-one is C[Si](C)(C)C(CCc1ccccc1)(Sc1ccccc1)C1CCCCC1=O.
What is the InChIKey of 2-(3-phenyl-1-phenylsulfanyl-1-trimethylsilylpropyl)cyclohexan-1-one?
The InChIKey is OOVBWPVRSVXQII-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32OSSi/c1-27(2,3)24(22-16-10-11-17-23(22)25,26-21-14-8-5-9-15-21)19-18-20-12-6-4-7-13-20/h4-9,12-15,22H,10-11,16-19H2,1-3H3.
What are the key properties of 2-(3-phenyl-1-phenylsulfanyl-1-trimethylsilylpropyl)cyclohexan-1-one?
2-(3-phenyl-1-phenylsulfanyl-1-trimethylsilylpropyl)cyclohexan-1-one has a molecular weight of 396.67 g/mol, XLogP of 6.79, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenyl-1-phenylsulfanyl-1-trimethylsilylpropyl)cyclohexan-1-one is sourced from PubChem (CID 11825443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).