2-[phenylsulfanyl(trimethylsilyl)methyl]cyclohexan-1-one

C16H24OSSi — CID 12868969

IUPAC2-[phenylsulfanyl(trimethylsilyl)methyl]cyclohexan-1-one
SMILESC[Si](C)(C)C(Sc1ccccc1)C1CCCCC1=O
InChIInChI=1S/C16H24OSSi/c1-19(2,3)16(14-11-7-8-12-15(14)17)18-13-9-5-4-6-10-13/h4-6,9-10,14,16H,7-8,11-12H2,1-3H3
InChIKeyWEGJVXTYURREAY-UHFFFAOYSA-N
MW292.52 g/mol
LogP4.78
Rot. Bonds4

About 2-[phenylsulfanyl(trimethylsilyl)methyl]cyclohexan-1-one

2-[phenylsulfanyl(trimethylsilyl)methyl]cyclohexan-1-one (PubChem CID 12868969) has the molecular formula C16H24OSSi and a molecular weight of 292.52 g/mol. Its IUPAC name is 2-[phenylsulfanyl(trimethylsilyl)methyl]cyclohexan-1-one.

Molecular Properties

Compound Name2-[phenylsulfanyl(trimethylsilyl)methyl]cyclohexan-1-one
PubChem CID12868969
Molecular FormulaC16H24OSSi
Molecular Weight292.52 g/mol
Exact Mass292.13
IUPAC Name2-[phenylsulfanyl(trimethylsilyl)methyl]cyclohexan-1-one
SMILESC[Si](C)(C)C(Sc1ccccc1)C1CCCCC1=O
InChIInChI=1S/C16H24OSSi/c1-19(2,3)16(14-11-7-8-12-15(14)17)18-13-9-5-4-6-10-13/h4-6,9-10,14,16H,7-8,11-12H2,1-3H3
InChIKeyWEGJVXTYURREAY-UHFFFAOYSA-N
XLogP4.78
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.52
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

S-phenyl cyclohexanecarbothioate
CID 10900146
4-(4-Methylphenyl)sulfanyl-4-phenylbutan-2-one
CID 3127839
4-(t-Butyl)-2-phenylthiocyclohexanone
CID 13202672
2-[(4-Methylphenyl)sulfanyl]cyclohexan-1-one
CID 13718922
2-[(3Z)-4-(phenylsulfanyl)-3-butenyl]cyclopentanone
CID 10037582
3-[Bis(phenylsulfanyl)methyl]cyclohexan-1-one
CID 10806197
2-Methyl-2-(phenylsulfanyl)cyclohexanone
CID 11413370
2-Methyl-6-phenylsulfanylcyclohexan-1-one
CID 12236131
2-(3-Phenylsulfanylpropyl)cyclohexan-1-one
CID 12628199
3-[1,1-Bis(phenylsulfanyl)ethyl]cyclohexan-1-one
CID 13153796
4-Ethyl-2-(phenylsulfanyl)cyclohexan-1-one
CID 13162945
1-Phenylsulfanyldecan-2-one
CID 14224249

Frequently Asked Questions

What is the IUPAC name of 2-[phenylsulfanyl(trimethylsilyl)methyl]cyclohexan-1-one?
The IUPAC name of 2-[phenylsulfanyl(trimethylsilyl)methyl]cyclohexan-1-one (CID 12868969) is 2-[phenylsulfanyl(trimethylsilyl)methyl]cyclohexan-1-one.
What is the SMILES notation for 2-[phenylsulfanyl(trimethylsilyl)methyl]cyclohexan-1-one?
The canonical SMILES for 2-[phenylsulfanyl(trimethylsilyl)methyl]cyclohexan-1-one is C[Si](C)(C)C(Sc1ccccc1)C1CCCCC1=O.
What is the InChIKey of 2-[phenylsulfanyl(trimethylsilyl)methyl]cyclohexan-1-one?
The InChIKey is WEGJVXTYURREAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24OSSi/c1-19(2,3)16(14-11-7-8-12-15(14)17)18-13-9-5-4-6-10-13/h4-6,9-10,14,16H,7-8,11-12H2,1-3H3.
What are the key properties of 2-[phenylsulfanyl(trimethylsilyl)methyl]cyclohexan-1-one?
2-[phenylsulfanyl(trimethylsilyl)methyl]cyclohexan-1-one has a molecular weight of 292.52 g/mol, XLogP of 4.78, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[phenylsulfanyl(trimethylsilyl)methyl]cyclohexan-1-one is sourced from PubChem (CID 12868969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).