[methoxy(phenylsulfanyl)methyl]-trimethylsilane

C11H18OSSi — CID 11790918

IUPAC[methoxy(phenylsulfanyl)methyl]-trimethylsilane
SMILESCOC(Sc1ccccc1)[Si](C)(C)C
InChIInChI=1S/C11H18OSSi/c1-12-11(14(2,3)4)13-10-8-6-5-7-9-10/h5-9,11H,1-4H3
InChIKeySQOUWJXFDOXOAW-UHFFFAOYSA-N
MW226.42 g/mol
LogP3.63
Rot. Bonds4

About [methoxy(phenylsulfanyl)methyl]-trimethylsilane

[methoxy(phenylsulfanyl)methyl]-trimethylsilane (PubChem CID 11790918) has the molecular formula C11H18OSSi and a molecular weight of 226.42 g/mol. Its IUPAC name is [methoxy(phenylsulfanyl)methyl]-trimethylsilane.

Molecular Properties

Compound Name[methoxy(phenylsulfanyl)methyl]-trimethylsilane
PubChem CID11790918
Molecular FormulaC11H18OSSi
Molecular Weight226.42 g/mol
Exact Mass226.08
IUPAC Name[methoxy(phenylsulfanyl)methyl]-trimethylsilane
SMILESCOC(Sc1ccccc1)[Si](C)(C)C
InChIInChI=1S/C11H18OSSi/c1-12-11(14(2,3)4)13-10-8-6-5-7-9-10/h5-9,11H,1-4H3
InChIKeySQOUWJXFDOXOAW-UHFFFAOYSA-N
XLogP3.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.42
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [methoxy(phenylsulfanyl)methyl]-trimethylsilane?
The IUPAC name of [methoxy(phenylsulfanyl)methyl]-trimethylsilane (CID 11790918) is [methoxy(phenylsulfanyl)methyl]-trimethylsilane.
What is the SMILES notation for [methoxy(phenylsulfanyl)methyl]-trimethylsilane?
The canonical SMILES for [methoxy(phenylsulfanyl)methyl]-trimethylsilane is COC(Sc1ccccc1)[Si](C)(C)C.
What is the InChIKey of [methoxy(phenylsulfanyl)methyl]-trimethylsilane?
The InChIKey is SQOUWJXFDOXOAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18OSSi/c1-12-11(14(2,3)4)13-10-8-6-5-7-9-10/h5-9,11H,1-4H3.
What are the key properties of [methoxy(phenylsulfanyl)methyl]-trimethylsilane?
[methoxy(phenylsulfanyl)methyl]-trimethylsilane has a molecular weight of 226.42 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [methoxy(phenylsulfanyl)methyl]-trimethylsilane is sourced from PubChem (CID 11790918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).