5-phenylsulfanyl-5-trimethylsilylpentan-2-one

C14H22OSSi — CID 10468158

IUPAC5-phenylsulfanyl-5-trimethylsilylpentan-2-one
SMILESCC(=O)CCC(Sc1ccccc1)[Si](C)(C)C
InChIInChI=1S/C14H22OSSi/c1-12(15)10-11-14(17(2,3)4)16-13-8-6-5-7-9-13/h5-9,14H,10-11H2,1-4H3
InChIKeyAWARCDWYXRFYGJ-UHFFFAOYSA-N
MW266.48 g/mol
LogP4.39
Rot. Bonds6

About 5-phenylsulfanyl-5-trimethylsilylpentan-2-one

5-phenylsulfanyl-5-trimethylsilylpentan-2-one (PubChem CID 10468158) has the molecular formula C14H22OSSi and a molecular weight of 266.48 g/mol. Its IUPAC name is 5-phenylsulfanyl-5-trimethylsilylpentan-2-one.

Molecular Properties

Compound Name5-phenylsulfanyl-5-trimethylsilylpentan-2-one
PubChem CID10468158
Molecular FormulaC14H22OSSi
Molecular Weight266.48 g/mol
Exact Mass266.12
IUPAC Name5-phenylsulfanyl-5-trimethylsilylpentan-2-one
SMILESCC(=O)CCC(Sc1ccccc1)[Si](C)(C)C
InChIInChI=1S/C14H22OSSi/c1-12(15)10-11-14(17(2,3)4)16-13-8-6-5-7-9-13/h5-9,14H,10-11H2,1-4H3
InChIKeyAWARCDWYXRFYGJ-UHFFFAOYSA-N
XLogP4.39
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.48
LogP ≤ 54.39
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-phenylsulfanyl-5-trimethylsilylpentan-2-one?
The IUPAC name of 5-phenylsulfanyl-5-trimethylsilylpentan-2-one (CID 10468158) is 5-phenylsulfanyl-5-trimethylsilylpentan-2-one.
What is the SMILES notation for 5-phenylsulfanyl-5-trimethylsilylpentan-2-one?
The canonical SMILES for 5-phenylsulfanyl-5-trimethylsilylpentan-2-one is CC(=O)CCC(Sc1ccccc1)[Si](C)(C)C.
What is the InChIKey of 5-phenylsulfanyl-5-trimethylsilylpentan-2-one?
The InChIKey is AWARCDWYXRFYGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22OSSi/c1-12(15)10-11-14(17(2,3)4)16-13-8-6-5-7-9-13/h5-9,14H,10-11H2,1-4H3.
What are the key properties of 5-phenylsulfanyl-5-trimethylsilylpentan-2-one?
5-phenylsulfanyl-5-trimethylsilylpentan-2-one has a molecular weight of 266.48 g/mol, XLogP of 4.39, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenylsulfanyl-5-trimethylsilylpentan-2-one is sourced from PubChem (CID 10468158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).